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

Systemtic Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-benzyloxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C36H39NO6S MolecularWeight: 613.76296

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C36H39NO6S/c1-5-44-17-16-42-36(39)33-23(2)37-29-19-27(25-14-15-31(40-3)32(21-25)41-4)20-30(38)35(29)34(33)26-12-9-13-28(18-26)43-22-24-10-7-6-8-11-24/h6-15,18,21,27,34,37H,5,16-17,19-20,22H2,1-4H3