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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-15-8-9-17(13-16(15)2)27-20-18(7-6-10-22-20)21(25)26-14-19(24)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12,14H2,1-2H3