methyl 1-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-23-18(22)16-7-10-20(11-8-16)13-17(21)19-9-12-24-14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,21)