[(2S)-butan-2-yl] (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: [(2S)-butan-2-yl] (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: [(1S)-1-methylpropyl] (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid [(1S)-1-methylpropyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,20,23H,5-8H2,1-4H3/t13-,20+/m0/s1