HIT ID: HIT103880388
Cas No: 443872-20-6
分子式: C25H25NO8S
分子量: 499.53
常用名: ZINC08438472
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(4-{[4-(ethoxycarbonyl)-5-[(4-ethoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid
IUPAC: 2-(4-{[4-(ethoxycarbonyl)-5-[(4-ethoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid
SMILES: CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccc(OCC(O)=O)c(OC)c2)C1=O |w:19.20,c:5|
SMILES: CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccc(OCC(O)=O)c(OC)c2)C1=O |w:19.20,c:5|
InChI key: MOFZYTWOPPTCMO-UHFFFAOYSA-N
