2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H35NO7S MolecularWeight: 565.6771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C31H35NO7S/c1-6-40-14-13-39-31(35)27-18(2)32-23-15-22(21-11-12-25(36-3)26(17-21)37-4)16-24(33)29(23)28(27)19-7-9-20(10-8-19)30(34)38-5/h7-12,17,22,28,32H,6,13-16H2,1-5H3