4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[[2-(difluoromethylthio)anilino]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl-methylamino]butanoic acid Traditional Name: 4-[[2-(difluoromethylthio)phenyl]carbamoyl-methyl-amino]butyric acid Formula: C13H16F2N2O3S MolecularWeight: 318.339546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=CC=CC=C1SC(F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=CC=CC=C1SC(F)F

InChI

InChI=1S/C13H16F2N2O3S/c1-17(8-4-7-11(18)19)13(20)16-9-5-2-3-6-10(9)21-12(14)15/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,20)(H,18,19)