HIT ID: HIT101494415
Cas No: 851304-36-4
分子式: C17H12N2O6S2
分子量: 404.41
常用名: KYA1797
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 2.706000000000000e+000
IUPAC: 3-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
IUPAC: 3-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O
SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O
InChI key: FNGXWOIGFSRSSD-ZROIWOOFSA-N
