1-[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[bis(fluoranyl)methylsulfanylmethyl]furan-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-[(difluoromethylthio)methyl]-2-furanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-[(difluoromethylthio)methyl]-2-furoyl]proline Formula: C12H13F2NO4S MolecularWeight: 305.297726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(O2)CSC(F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(O2)CSC(F)F)C(=O)O

InChI

InChI=1S/C12H13F2NO4S/c13-12(14)20-6-7-3-4-9(19-7)10(16)15-5-1-2-8(15)11(17)18/h3-4,8,12H,1-2,5-6H2,(H,17,18)