1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-benzylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(benzylthio)acetyl]isonipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3S/c17-14(11-20-10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)