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

Systemtic Name: 2-[2-[2,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2,4-difluorophenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(2,4-difluorophenyl)thio]acetyl]amino]-3-methyl-valeric acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2NO3S/c1-3-8(2)13(14(19)20)17-12(18)7-21-11-5-4-9(15)6-10(11)16/h4-6,8,13H,3,7H2,1-2H3,(H,17,18)(H,19,20)