2-[[(4S)-3-cyano-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(4S)-3-cyano-4-(4-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(4S)-3-cyano-5-oxo-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetate IUPAC Name: 2-[[(4S)-3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-5-keto-4-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(NC3=C2C(=O)CCC3)SCC(=O)[O-])C#N

InChI

InChI=1S/C19H18N2O3S/c1-11-5-7-12(8-6-11)17-13(9-20)19(25-10-16(23)24)21-14-3-2-4-15(22)18(14)17/h5-8,17,21H,2-4,10H2,1H3,(H,23,24)/p-1/t17-/m1/s1