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

Systemtic Name: methyl 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(benzylthio)acetyl]isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)14-7-9-17(10-8-14)15(18)12-21-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3