2-ethylsulfanylethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H32ClNO6S MolecularWeight: 558.08548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClNO6S/c1-5-38-11-10-37-29(34)25-16(2)31-22-13-18(17-6-8-20(35-3)9-7-17)14-23(32)27(22)26(25)19-12-21(30)28(33)24(15-19)36-4/h6-9,12,15,18,26,31,33H,5,10-11,13-14H2,1-4H3