2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanethioylamino]-5-fluoranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanethioylamino]-5-fluoranyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)ethanethioyl]amino]-5-fluoro-phenoxy]acetic acid CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-sulfanylideneethyl]amino]-5-fluorophenoxy]acetic acid IUPAC Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)ethanethioyl]amino]-5-fluorophenoxy]acetic acid Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)thioacetyl]amino]-5-fluoro-phenoxy]acetic acid Formula: C16H12BrF2NO3S MolecularWeight: 416.237186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(12(19)6-10)5-15(24)20-13-4-3-11(18)7-14(13)23-8-16(21)22/h1-4,6-7H,5,8H2,(H,20,24)(H,21,22)