(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-keto-2-piperidino-ethyl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c22-17(21-12-5-2-6-13-21)14-24-19(23)16-10-7-11-20-18(16)25-15-8-3-1-4-9-15/h1,3-4,7-11H,2,5-6,12-14H2