HIT ID: HIT100750315
Cas No: 82159-09-9
分子式: C15H13NO3S2
分子量: 319.39
常用名: Epalrestat
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 2.431000000000000e+000
IUPAC: 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
IUPAC: 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
SMILES: C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
SMILES: C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
InChI key: CHNUOJQWGUIOLD-NFZZJPOKSA-N
