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  • diethyl-[2-[(2S,3R)-2-furan-2-yl-4,,5-dioxo-3-(thiophene-2-carbonyl)p
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight375.46192 [g/mol]
    Molecular FormulaC19H23N2O4S+
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count8
    Tautomer Count3
    Exact Mass375.137853
    MonoIsotopic Mass375.137853
    Topological Polar Surface Area72
    Heavy Atom Count26
    Formal Charge1
    Complexity552
    Isotope Atom Count0
    Defined Atom StereoCenter Count2
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: diethyl-[2-[(2S,3R)-2-furan-2-yl-4,
    5-dioxo-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]ethyl]azanium
    Canonical SMILES: CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=CO3
    Isomeric SMILES: CC[NH+](CC)CCN1[C@@H]([C@H](C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=CO3
    InChI: InChI=1/C19H22N2O4S/c1-3-20(4-2)9-10-21-16(13-7-5-11-25-13)15(18(23)19
    (21)24)17(22)14-8-6-12-26-14/h5-8,11-12,15-16H,3-4,9-10H2,
    1-2H3/p+1/t15-,16+/m0/s1/fC19H23N2O4S/h20H/q+1

    ChemDrug版权识别码:52838506351370775
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