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

Systemtic Name: 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoic acid Openeye Name: 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetic acid CAS Name: 2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]phenoxy]acetic acid IUPAC Name: 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetic acid Traditional Name: 2-[5-fluoro-2-[(3-nitrobenzyl)thiocarbamoyl]phenoxy]acetic acid Formula: C16H13FN2O5S MolecularWeight: 364.348223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=S)C2=C(C=C(C=C2)F)OCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=S)C2=C(C=C(C=C2)F)OCC(=O)O

InChI

InChI=1S/C16H13FN2O5S/c17-11-4-5-13(14(7-11)24-9-15(20)21)16(25)18-8-10-2-1-3-12(6-10)19(22)23/h1-7H,8-9H2,(H,18,25)(H,20,21)