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

Systemtic Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-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-ethylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H37NO5S MolecularWeight: 535.69418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCSCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCSCC)C

InChI

InChI=1S/C31H37NO5S/c1-6-20-8-10-21(11-9-20)29-28(31(34)37-14-15-38-7-2)19(3)32-24-16-23(17-25(33)30(24)29)22-12-13-26(35-4)27(18-22)36-5/h8-13,18,23,29,32H,6-7,14-17H2,1-5H3