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

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]-4-methyl-valeric acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2NO3S/c1-8(2)7-10(13(19)20)17-12(18)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)(H,19,20)