2-[2-[(4-bromophenyl)methyl-fluoranyl-carbamothioyl]-5-fluoranyl-4-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(4-bromophenyl)methyl-fluoranyl-carbamothioyl]-5-fluoranyl-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-bromophenyl)methyl-fluoro-carbamothioyl]-5-fluoro-4-methyl-phenoxy]acetic acid CAS Name: 2-[2-[[(4-bromophenyl)methyl-fluoroamino]-sulfanylidenemethyl]-5-fluoro-4-methylphenoxy]acetic acid IUPAC Name: 2-[2-[(4-bromophenyl)methyl-fluorocarbamothioyl]-5-fluoro-4-methylphenoxy]acetic acid Traditional Name: 2-[2-[(4-bromobenzyl)-fluoro-thiocarbamoyl]-5-fluoro-4-methyl-phenoxy]acetic acid Formula: C17H14BrF2NO3S MolecularWeight: 430.263766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=S)N(CC2=CC=C(C=C2)Br)F)OCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=S)N(CC2=CC=C(C=C2)Br)F)OCC(=O)O)F

InChI

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