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

Systemtic Name: propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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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)OC(C)C

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)OC(C)C

InChI

InChI=1S/C29H33NO5S/c1-16(2)35-29(32)26-17(3)30-22-13-20(19-9-12-24(33-4)25(15-19)34-5)14-23(31)28(22)27(26)18-7-10-21(36-6)11-8-18/h7-13,15-16,20,27-28,30H,14H2,1-6H3