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

Systemtic Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2-methyl-5-oxo-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-4-27-13-12-26-22(25)19-15(3)23-17-6-5-7-18(24)21(17)20(19)16-10-8-14(2)9-11-16/h8-11,20,23H,4-7,12-13H2,1-3H3/t20-/m1/s1