CAS 89604-92-2

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5 Suppliers, 5 End Use APIs, 13 Related Intermediates

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5 End Use APIs
13 Related Intermediates

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Also known as: 89604-92-2, 158183-05-2, Taem, (z)-tert-butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate, 2-mercaptobenzothiazolyl, Ceftazidime related compound 1

Molecular Formula

C₂₀H₂₂N₄O₄S₃

Molecular Weight

478.6 g/mol

InChI Key

RCZJVHXVCSKDKB-OYKKKHCWSA-N

1 2D Structure

CAS 89604-92-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate

2.1.2 InChI

InChI=1S/C20H22N4O4S3/c1-19(2,3)27-16(26)20(4,5)28-24-14(12-10-29-17(21)22-12)15(25)31-18-23-11-8-6-7-9-13(11)30-18/h6-10H,1-5H3,(H2,21,22)/b24-14-

2.1.3 InChI Key

RCZJVHXVCSKDKB-OYKKKHCWSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 89604-92-2

2. 158183-05-2

3. Taem

4. (z)-tert-butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate

5. 2-mercaptobenzothiazolyl

6. Ceftazidime Related Compound 1

7. (e)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate

8. Tert-butyl 2-[(z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate

9. Ceftazidime Intermediate

10. Mfcd00071548

11. Ec 419-040-9

12. Schembl4727203

13. Dtxsid301104852

14. 2-mercaptobenzothiazolyl (z)-2-(2-aminothiazol-4-yl)-2-(2-t-butoxycarbonylprop-2-oxyimino) Acetate

15. Zinc32098676

16. Akos015920134

17. Ac-5571

18. Cs-w019525

19. Gs-3101

20. Benzothiazol-2-yl-(z)-2-(tert-butoxycarbonylprop-2-oxyimino)-2-(2-aminothiazol-4-yl)thi-oacetate

21. S-2-benzothiazoyl-(z)-2-(1-tert-butoxycanbonyl-1-methylethoxyimino)-(2-amino-thiazol-4-yl) Acetate

22. Tert-butyl 2-{[(z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy}-2-methylpropanoate

23. O10235

24. 183t052

25. J-509777

26. 2-mercaptobenzolyl-(2-aminothiazol-4-yl)-[(tert-butoxycarbonyl)isopropoxyimino]acetate

27. S-2-benzothiazolyl-(2)-2-(1-terbatoxycanbonyl-1-methylethoxyimino)-4-thiazole Acetate

28. (z)-2-[(2-aminothiazol-4-yl)-(benzothiazol-2-yloxythiocarbonyl)-methyleneaminooxy]-2-methyl-propionic Acid T-butyl Ester

29. (z)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-me

30. (z)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate

31. 1,1-dimethylethyl 2-[[(z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoate

32. 2-(2-aminothiazole-4-yl)-2-(1,1-dimethyl-2-oxo-2-(tert-butoxy)ethoxyimino)thioacetic Acid S-(benzothiazole-2-yl) Ester

33. 2-[[(z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoic Acid 1,1-dimethylethyl Ester

34. 2-mercaptobenzothiazolyl-(z)(2-aminothiazole-4yl)-2-(tert-butoxycarbonyl)isopropoxyimino Acetate

35. 2-mercaptobenzoyl-alpha-(2-aminothiazol-4-yl)-alpha-[(tert-butoxycarbonyl)]isopropoxyimino]acetate

36. Benzothiazol-2-yl-(z)-2-(tert-butoxycarbonylprop-2-oxyimino)-(2-aminothiazol-4-yl) Thioacetate

37. Benzothiazol-2-yl-(z)-2-(tert-butoxycarbonylprop-2-oxyimino)-(2-aminothiazol-4-yl)thioacetate 89604-

38. S-2-benzothiazolyl (z)-2-(2-aminothiazol-4-yl)-2-(1-t-butoxycarbonyl-1-methyl)ethoxyiminothioacetate

39. S-2-benzothiazoyl-(z)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)-(2-amino-thiazol-4-yl) Acetate

40. S-2-benzothiazoyl-(z)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)-2-(aminothiazol-4-yl)acetate

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂N₄O₄S₃
Molecular Weight	478.6 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	478.08031872 g/mol
Monoisotopic Mass	478.08031872 g/mol
Topological Polar Surface Area	199 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	713
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1