6-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(3,4-difluorophenyl)thio]acetyl]amino]hexanoic acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2NO3S/c15-11-6-5-10(8-12(11)16)21-9-13(18)17-7-3-1-2-4-14(19)20/h5-6,8H,1-4,7,9H2,(H,17,18)(H,19,20)