[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O5S/c1-12-3-6-15(7-4-12)28-10-9-18(23)27-13(2)19(24)21-14-5-8-16(20)17(11-14)22(25)26/h3-8,11,13H,9-10H2,1-2H3,(H,21,24)