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

Systemtic Name: 2-ethylsulfanylethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-bromo-4-fluoro-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-7-(2-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-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-keto-7-(2-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H29BrFNO4S MolecularWeight: 574.501563

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)CC(C2)C4=CC=CC=C4OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)CC(C2)C4=CC=CC=C4OC)C

InChI

InChI=1S/C28H29BrFNO4S/c1-4-36-12-11-35-28(33)25-16(2)31-22-14-18(19-7-5-6-8-24(19)34-3)15-23(32)27(22)26(25)17-9-10-21(30)20(29)13-17/h5-10,13,18,26,31H,4,11-12,14-15H2,1-3H3