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

Systemtic Name: 6-[2-[2,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(2,4-difluorophenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(2,4-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=C1F)F)SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H17F2NO3S/c15-10-5-6-12(11(16)8-10)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)