1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-thienyl)methylthio]acetyl]-4-methoxy-proline Formula: C13H16ClNO4S2 MolecularWeight: 349.85344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)CSCC2=CC=C(S2)Cl)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C(=O)CSCC2=CC=C(S2)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO4S2/c1-19-8-4-10(13(17)18)15(5-8)12(16)7-20-6-9-2-3-11(14)21-9/h2-3,8,10H,4-7H2,1H3,(H,17,18)