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

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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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

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

InChI

InChI=1S/C27H29NO5S/c1-15-24(27(30)33-4)25(16-6-9-19(34-5)10-7-16)26-20(28-15)12-18(13-21(26)29)17-8-11-22(31-2)23(14-17)32-3/h6-12,14,18,25-26,28H,13H2,1-5H3