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

Systemtic Name: 1-(2-phenylsulfanylethanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-phenylsulfanylacetyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-phenylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(phenylthio)acetyl]proline Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H15NO3S/c15-12(9-18-10-5-2-1-3-6-10)14-8-4-7-11(14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)