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

Systemtic Name: 3-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]butanoic acid Openeye Name: 3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]butyric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c1-7(4-12(17)18)15-11(16)6-19-8-2-3-9(13)10(14)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)