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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-bromophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H28BrNO3S MolecularWeight: 526.48512

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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=CC=C4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)Br)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28BrNO3S/c1-3-33-14-13-32-27(31)24-17(2)29-22-15-20(18-7-5-4-6-8-18)16-23(30)26(22)25(24)19-9-11-21(28)12-10-19/h4-12,20,25,29H,3,13-16H2,1-2H3/t20-,25-/m1/s1