2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]-4-(methylthio)butyric acid Formula: C13H15F2NO3S2 MolecularWeight: 335.389906

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)F

InChI

InChI=1S/C13H15F2NO3S2/c1-20-7-6-9(12(18)19)16-11(17)8-4-2-3-5-10(8)21-13(14)15/h2-5,9,13H,6-7H2,1H3,(H,16,17)(H,18,19)