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

Systemtic Name: 2-ethylsulfanylethyl 4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-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)OC)Br)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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