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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c1-2-10(12(17)18)15-11(16)6-19-7-3-4-8(13)9(14)5-7/h3-5,10H,2,6H2,1H3,(H,15,16)(H,17,18)