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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamothioyl]-5-fluoranyl-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methylcarbamothioyl]-5-fluoro-4-methyl-phenoxy]acetic acid CAS Name: 2-[2-[[(4-bromo-2-fluorophenyl)methylamino]-sulfanylidenemethyl]-5-fluoro-4-methylphenoxy]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamothioyl]-5-fluoro-4-methylphenoxy]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)thiocarbamoyl]-5-fluoro-4-methyl-phenoxy]acetic acid Formula: C17H14BrF2NO3S MolecularWeight: 430.263766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=S)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=S)NCC2=C(C=C(C=C2)Br)F)OCC(=O)O)F

InChI

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