2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]-3-methyl-butyric acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F

InChI

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