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    CAS 59804-25-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 275.3 g/mol
    Molecular Formula C9H9NO5S2
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area121
    Heavy Atom Count17
    Formal Charge0
    Complexity478
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1