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

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(4-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CCC2)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)Br)C(=O)CCC2)C

InChI

InChI=1S/C21H24BrNO3S/c1-3-27-12-11-26-21(25)18-13(2)23-16-5-4-6-17(24)20(16)19(18)14-7-9-15(22)10-8-14/h7-10,19,23H,3-6,11-12H2,1-2H3/t19-/m1/s1