2-diethylaminoethyl 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoate

Systemtic Name: 2-diethylaminoethyl 2-[5-fluoranyl-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]ethanoate Openeye Name: 2-diethylaminoethyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetate CAS Name: 2-[5-fluoro-2-[[(3-nitrophenyl)methylamino]-sulfanylidenemethyl]phenoxy]acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamothioyl]phenoxy]acetate Traditional Name: 2-[5-fluoro-2-[(3-nitrobenzyl)thiocarbamoyl]phenoxy]acetic acid 2-diethylaminoethyl ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)COC1=C(C=CC(=C1)F)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)COC1=C(C=CC(=C1)F)C(=S)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26FN3O5S/c1-3-25(4-2)10-11-30-21(27)15-31-20-13-17(23)8-9-19(20)22(32)24-14-16-6-5-7-18(12-16)26(28)29/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,24,32)