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    CAS 64485-82-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    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
    1 2D Structure

    2D Structure

    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