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

Systemtic Name: ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)SC)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)SC)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H31NO5S/c1-6-34-28(31)25-16(2)29-21-13-19(18-9-12-23(32-3)24(15-18)33-4)14-22(30)27(21)26(25)17-7-10-20(35-5)11-8-17/h7-13,15,19,26-27,29H,6,14H2,1-5H3