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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2NO3S/c1-2-3-4-12(14(19)20)17-13(18)8-21-9-5-6-10(15)11(16)7-9/h5-7,12H,2-4,8H2,1H3,(H,17,18)(H,19,20)