[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O3S/c1-15-8-10-17(11-9-15)27-20-18(7-5-12-22-20)21(25)26-14-19(24)23-13-4-3-6-16(23)2/h5,7-12,16H,3-4,6,13-14H2,1-2H3/t16-/m0/s1