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

Systemtic Name: 4-methoxy-1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxy-1-[2-(2-thienylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-methoxy-1-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxy-1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-methoxy-1-[2-(2-thenylthio)acetyl]proline Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)CSCC2=CC=CS2)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)CSCC2=CC=CS2)C(=O)O

InChI

InChI=1S/C13H17NO4S2/c1-18-9-5-11(13(16)17)14(6-9)12(15)8-19-7-10-3-2-4-20-10/h2-4,9,11H,5-8H2,1H3,(H,16,17)