1-[2-(2-chlorophenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-chlorophenyl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(2-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-chlorophenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(2-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-chlorophenyl)thio]acetyl]proline Formula: C13H14ClNO3S MolecularWeight: 299.77316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO3S/c14-9-4-1-2-6-11(9)19-8-12(16)15-7-3-5-10(15)13(17)18/h1-2,4,6,10H,3,5,7-8H2,(H,17,18)