1-(2-phenethylsulfanylethanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-phenethylsulfanylethanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-phenethylsulfanylacetyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-(phenethylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-phenethylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(phenethylthio)acetyl]proline Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c17-14(16-9-4-7-13(16)15(18)19)11-20-10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)