cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methylene-4-(4-methylsulfanylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-2-methylene-4-[4-(methylthio)phenyl]-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-5-keto-2-methylene-4-[4-(methylthio)phenyl]-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C(C(C(=C)N3)C(=O)OC4CCCC4)C5=CC=C(C=C5)SC)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C(C(C(=C)N3)C(=O)OC4CCCC4)C5=CC=C(C=C5)SC)C(=O)C2)OC

InChI

InChI=1S/C31H35NO5S/c1-18-28(31(34)37-22-7-5-6-8-22)29(19-9-12-23(38-4)13-10-19)30-24(32-18)15-21(16-25(30)33)20-11-14-26(35-2)27(17-20)36-3/h9-14,17,21-22,28-29,32H,1,5-8,15-16H2,2-4H3