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

Systemtic Name: 1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3,4-difluorophenyl)thio]acetyl]-4-hydroxy-proline Formula: C13H13F2NO4S MolecularWeight: 317.308426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F)O

InChI

InChI=1S/C13H13F2NO4S/c14-9-2-1-8(4-10(9)15)21-6-12(18)16-5-7(17)3-11(16)13(19)20/h1-2,4,7,11,17H,3,5-6H2,(H,19,20)