[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O3S/c1-15-11-16(2)13-23(12-15)19(24)14-26-21(25)18-9-6-10-22-20(18)27-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3