[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5S/c1-11-3-5-14(7-12(11)2)27-10-18(23)26-9-17(22)20-16-8-13(21(24)25)4-6-15(16)19/h3-8H,9-10H2,1-2H3,(H,20,22)