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

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

Systemtic Name:2-[5-fluoranyl-4-methyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoic acid
Openeye Name:2-[5-fluoro-4-methyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetic acid
CAS Name:2-[5-fluoro-4-methyl-2-[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]phenoxy]acetic acid
IUPAC Name:2-[5-fluoro-4-methyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetic acid
Traditional Name:2-[5-fluoro-4-methyl-2-[(3-nitrobenzyl)thiocarbamoyl]phenoxy]acetic acid
Formula: C17H15FN2O5S
MolecularWeight: 378.374803
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O)F


Isomeric SMILES

CC1=C(C=C(C(=C1)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O)F


InChI

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


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