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

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3S/c1-7(2)12(13(18)19)16-11(17)6-20-8-3-4-9(14)10(15)5-8/h3-5,7,12H,6H2,1-2H3,(H,16,17)(H,18,19)