2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]-4-phenyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]-4-phenyl-phenoxy]ethanoic acid Openeye Name: 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]-4-phenyl-phenoxy]acetic acid CAS Name: 2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]-4-phenylphenoxy]acetic acid IUPAC Name: 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]-4-phenylphenoxy]acetic acid Traditional Name: 2-[5-fluoro-2-[(3-nitrobenzyl)thiocarbamoyl]-4-phenyl-phenoxy]acetic acid Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2F)OCC(=O)O)C(=S)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2F)OCC(=O)O)C(=S)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17FN2O5S/c23-19-11-20(30-13-21(26)27)18(10-17(19)15-6-2-1-3-7-15)22(31)24-12-14-5-4-8-16(9-14)25(28)29/h1-11H,12-13H2,(H,24,31)(H,26,27)