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

Systemtic Name: 2-ethylsulfanylethyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7S)-4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(3-bromophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-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)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=CC=C4)Br

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H28BrNO3S/c1-3-33-13-12-32-27(31)24-17(2)29-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(28)14-19/h4-11,14,20,24-25H,3,12-13,15-16H2,1-2H3/t20-,24?,25-/m0/s1