2-[5-fluoranyl-4-methyl-2-[2-(3-nitrophenyl)ethanethioylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-4-methyl-2-[2-(3-nitrophenyl)ethanethioylamino]phenoxy]ethanoic acid Openeye Name: 2-[5-fluoro-4-methyl-2-[[2-(3-nitrophenyl)ethanethioyl]amino]phenoxy]acetic acid CAS Name: 2-[5-fluoro-4-methyl-2-[[2-(3-nitrophenyl)-1-sulfanylideneethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[5-fluoro-4-methyl-2-[[2-(3-nitrophenyl)ethanethioyl]amino]phenoxy]acetic acid Traditional Name: 2-[5-fluoro-4-methyl-2-[[2-(3-nitrophenyl)thioacetyl]amino]phenoxy]acetic acid Formula: C17H15FN2O5S MolecularWeight: 378.374803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1F)OCC(=O)O)NC(=S)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O5S/c1-10-5-14(15(8-13(10)18)25-9-17(21)22)19-16(26)7-11-3-2-4-12(6-11)20(23)24/h2-6,8H,7,9H2,1H3,(H,19,26)(H,21,22)