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

Systemtic Name: 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanethioylamino]-5-fluoranyl-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)ethanethioyl]amino]-5-fluoro-4-methyl-phenoxy]acetic acid CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-sulfanylideneethyl]amino]-5-fluoro-4-methylphenoxy]acetic acid IUPAC Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)ethanethioyl]amino]-5-fluoro-4-methylphenoxy]acetic acid Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)thioacetyl]amino]-5-fluoro-4-methyl-phenoxy]acetic acid Formula: C17H14BrF2NO3S MolecularWeight: 430.263766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H14BrF2NO3S/c1-9-4-14(15(7-12(9)19)24-8-17(22)23)21-16(25)5-10-2-3-11(18)6-13(10)20/h2-4,6-7H,5,8H2,1H3,(H,21,25)(H,22,23)