ethyl 1-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(p-tolylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)nicotinoyl]isonipecotic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O3S/c1-3-26-21(25)16-10-13-23(14-11-16)20(24)18-5-4-12-22-19(18)27-17-8-6-15(2)7-9-17/h4-9,12,16H,3,10-11,13-14H2,1-2H3