1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-3-(phenylthio)propyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(phenylthio)propanoyl]proline Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c16-13(15-9-4-7-12(15)14(17)18)8-10-19-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)