(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C20H22N2O3S/c1-15-7-9-16(10-8-15)26-19-17(6-5-11-21-19)20(24)25-14-18(23)22-12-3-2-4-13-22/h5-11H,2-4,12-14H2,1H3