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

Systemtic Name: 2-ethylsulfanylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromophenyl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H27BrClNO3S MolecularWeight: 560.93018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrClNO3S/c1-3-34-12-11-33-27(32)24-16(2)30-22-14-19(17-7-9-21(29)10-8-17)15-23(31)26(22)25(24)18-5-4-6-20(28)13-18/h4-10,13,19,25,30H,3,11-12,14-15H2,1-2H3