1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-chlorobenzyl)thio]acetyl]proline Formula: C14H16ClNO3S MolecularWeight: 313.79974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSCC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClNO3S/c15-11-4-1-3-10(7-11)8-20-9-13(17)16-6-2-5-12(16)14(18)19/h1,3-4,7,12H,2,5-6,8-9H2,(H,18,19)