cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OC5CCCC5

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/h9-15,17,21-22,29-30,32H,5-8,16H2,1-4H3