ethyl 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(benzylthio)acetyl]isonipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-2-21-17(20)15-8-10-18(11-9-15)16(19)13-22-12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3