ethyl 1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[2-(phenylthio)nicotinoyl]isonipecotic acid ethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-2-25-20(24)15-10-13-22(14-11-15)19(23)17-9-6-12-21-18(17)26-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3