3-methylbutyl 2-[5-fluoranyl-2-[2-(3-nitrophenyl)ethanethioylamino]phenoxy]ethanoate

Systemtic Name: 3-methylbutyl 2-[5-fluoranyl-2-[2-(3-nitrophenyl)ethanethioylamino]phenoxy]ethanoate Openeye Name: isopentyl 2-[5-fluoro-2-[[2-(3-nitrophenyl)ethanethioyl]amino]phenoxy]acetate CAS Name: 2-[5-fluoro-2-[[2-(3-nitrophenyl)-1-sulfanylideneethyl]amino]phenoxy]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[5-fluoro-2-[[2-(3-nitrophenyl)ethanethioyl]amino]phenoxy]acetate Traditional Name: 2-[5-fluoro-2-[[2-(3-nitrophenyl)thioacetyl]amino]phenoxy]acetic acid isoamyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)COC1=C(C=CC(=C1)F)NC(=S)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)COC1=C(C=CC(=C1)F)NC(=S)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN2O5S/c1-14(2)8-9-28-21(25)13-29-19-12-16(22)6-7-18(19)23-20(30)11-15-4-3-5-17(10-15)24(26)27/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,23,30)