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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC=CC=C2

InChI

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