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Also known as: 64485-82-1, 60845-81-0, (z)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate, Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate, Ethyl (z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate, Ethyl (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
Molecular Formula
C7H9N3O3S
Molecular Weight
215.23  g/mol
InChI Key
BTEPYCPXBCCSDL-YHYXMXQVSA-N

CAS 64485-82-1
1 2D Structure

CAS 64485-82-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
2.1.2 InChI
InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5-
2.1.3 InChI Key
BTEPYCPXBCCSDL-YHYXMXQVSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(=NO)C1=CSC(=N1)N
2.1.5 Isomeric SMILES
CCOC(=O)/C(=N\O)/C1=CSC(=N1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 64485-82-1

2. 60845-81-0

3. (z)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

4. Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate

5. Ethyl (z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetate

6. Ethyl (2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

7. Ethyl (z)-2-hydroxyimino-2-(2-aminothiazole-4-yl)acetate

8. (2-amino-thiazol-4-yl)-[(z)-hydroxyimino]-acetic Acid Ethyl Ester

9. Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

10. Einecs 262-468-4

11. Einecs 264-910-1

12. Ehata

13. 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate

14. Schembl95685

15. Mls006011392

16. Ethyl (z)-2-amino-alpha-(hydroxyimino)thiazol-4-acetate

17. (e)-ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

18. Dtxsid801215981

19. Mfcd00071531

20. Zinc96034863

21. Akos024306917

22. Am101077

23. Smr004703229

24. Cs-0151909

25. D70139

26. 485e821

27. A834769

28. A868876

29. 4-(2-aminothiazol-4-yl)-4-(hydroxyimino)acetic Ester

30. Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyimino-(z)-acetate

31. (z)-ethyl 2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetate

32. Ethyl (alphaz)-2-amino-alpha-(hydroxyimino)-4-thiazoleacetate

33. Ethyl (z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetate

34. Ethyl 2-amino-alpha-(hydroxyimino)-4-thiazoleacetate, Predominantly Syn

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 215.23 g/mol
Molecular Formula C7H9N3O3S
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass215.03646233 g/mol
Monoisotopic Mass215.03646233 g/mol
Topological Polar Surface Area126 Ų
Heavy Atom Count14
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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