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

Systemtic Name: 2-ethylsulfanylethyl 4-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-bromophenyl)-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-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H30BrNO4S MolecularWeight: 556.5111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO4S/c1-4-35-14-13-34-28(32)25-17(2)30-23-15-20(18-7-11-22(33-3)12-8-18)16-24(31)27(23)26(25)19-5-9-21(29)10-6-19/h5-12,20,26,30H,4,13-16H2,1-3H3