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

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-thienyl)methylthio]acetyl]proline Formula: C12H14ClNO3S2 MolecularWeight: 319.82746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCC2=CC=C(S2)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSCC2=CC=C(S2)Cl)C(=O)O

InChI

InChI=1S/C12H14ClNO3S2/c13-10-4-3-8(19-10)6-18-7-11(15)14-5-1-2-9(14)12(16)17/h3-4,9H,1-2,5-7H2,(H,16,17)