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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC(=O)NCCCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCC(=O)NCCCC(=O)O)F)F

InChI

InChI=1S/C12H13F2NO3S/c13-9-4-3-8(6-10(9)14)19-7-11(16)15-5-1-2-12(17)18/h3-4,6H,1-2,5,7H2,(H,15,16)(H,17,18)