1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3,4-difluorophenyl)thio]acetyl]proline Formula: C13H13F2NO3S MolecularWeight: 301.309026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F2NO3S/c14-9-4-3-8(6-10(9)15)20-7-12(17)16-5-1-2-11(16)13(18)19/h3-4,6,11H,1-2,5,7H2,(H,18,19)