1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(difluoromethylsulfanyl)benzoyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(difluoromethylthio)phenyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(difluoromethylsulfanyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(difluoromethylthio)benzoyl]-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)C2=CC=CC=C2SC(F)F)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C2=CC=CC=C2SC(F)F)O

InChI

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