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

Systemtic Name: 1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-thienylmethylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-thenylthio)acetyl]isonipecotic acid Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=CS2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=CS2

InChI

InChI=1S/C13H17NO3S2/c15-12(9-18-8-11-2-1-7-19-11)14-5-3-10(4-6-14)13(16)17/h1-2,7,10H,3-6,8-9H2,(H,16,17)