[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (2S)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (2S)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (2S)-2-(p-tolylsulfanyl)propanoate CAS Name: (2S)-2-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (2S)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2S)-2-(p-tolylthio)propionic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO3S/c1-17-8-10-21(11-9-17)28-18(2)23(26)27-16-22(25)24-14-12-20(13-15-24)19-6-4-3-5-7-19/h3-12,18H,13-16H2,1-2H3/t18-/m0/s1