CAS 59804-25-0

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Also known as: 59804-25-0, Methyl 2-methyl-4-hydroxy-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide, C9h9no5s2, Methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate, Mfcd08460400, Methyl 2-methyl-4-hydroxy-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylatelate-1,1-dioxide

Molecular Formula

C₉H₉NO₅S₂

Molecular Weight

275.3 g/mol

InChI Key

OKNMAOBDSCJUDO-UHFFFAOYSA-N

1 2D Structure

CAS 59804-25-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate

2.1.2 InChI

InChI=1S/C9H9NO5S2/c1-10-6(9(12)15-2)7(11)8-5(3-4-16-8)17(10,13)14/h3-4,11H,1-2H3

2.1.3 InChI Key

OKNMAOBDSCJUDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 59804-25-0

2. Methyl 2-methyl-4-hydroxy-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide

3. C9h9no5s2

4. Methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate

5. Mfcd08460400

6. Methyl 2-methyl-4-hydroxy-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylatelate-1,1-dioxide

7. Methyl 4-hydroxy-2-methyl-2h-thieno[2,3-e][1,2]-thiazine-3-carboxylate 1,1-dioxide

8. Methyl 4-hydroxy-2-methyl-2h-thieno[2,3-e]1,2-thiazine-3-carboxylate 1,1-dioxide

9. Methyl 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate

10. Tenoxicam Impurity B

11. Methyl 2-methyl-4-hydroxy-2h-thicn0[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide

12. Schembl10853216

13. Dtxsid70975211

14. Albb-008914

15. Bcp12612

16. Bbl012497

17. Stk501440

18. Akos000321236

19. Ac-8136

20. Methyl-2-methyl-4-hydroxy-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide

21. 4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6*-thieno[2,3-e][1,2]thiazine-3-carbxylic Acid Methyl E

22. As-13176

23. Db-076749

24. Bb 0260983

25. Cs-0151227

26. Ft-0652116

27. Ft-0679441

28. D95101

29. En300-7420849

30. A832478

31. 3-carbomethoxy-4-hydroxy-2-methyl-thieno[2,3-e]-1,2-thiazine 1,1-dioxide

32. Methyl 4-hydroxy-2-methyl-1,1-dioxo-thieno[2,3-e]thiazine-3-carboxylate

33. 3-carbomethoxy-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine 1,1-dioxide

34. 3-carbomethoxy-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine1,1-dioxide

35. 4-hydroxy-3-methoxycarbonyl-2-methyl-2h-thieno[2,3-e]-1,2-thiazine 1,1-dioxide

36. 4-hydroxy-3-methoxycarbonyl-2-methyl-2h-thieno[2,3-e]-1,2-thiazine1,1-dioxide

37. Methyl 4-hydroxy-2-methyl-1,1-dioxo-2h-1lambda6-thieno[2,3-e][1,2]thiazine-3-carboxylate

38. Methyl 4-hydroxy-2-methyl-2h-thieno[2,3-e][1,2]-thiazine-3-carboxylate1,1-dioxide

39. 2h-thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid, 4-hydroxy-2-methyl-,methyl Ester, 1,1-dioxide

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₅S₂
Molecular Weight	275.3 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	121
Heavy Atom Count	17
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1