1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-thienylmethylsulfanyl)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-thenylthio)acetyl]nipecotic acid Formula: C13H17NO3S2 MolecularWeight: 299.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC2=CC=CS2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C13H17NO3S2/c15-12(9-18-8-11-4-2-6-19-11)14-5-1-3-10(7-14)13(16)17/h2,4,6,10H,1,3,5,7-9H2,(H,16,17)