ethyl 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: 1-[2-(benzylthio)acetyl]nipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSCC2=CC=CC=C2

InChI

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