1-[2-(phenylmethylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzylsulfanylacetyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzylthio)acetyl]proline Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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