[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C24H23FN2O6S MolecularWeight: 486.512623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H23FN2O6S/c25-19-11-10-15(12-20(19)27(30)31)26-22(28)13-32-24(29)23-18(14-34-16-6-2-1-3-7-16)17-8-4-5-9-21(17)33-23/h4-5,8-12,16H,1-3,6-7,13-14H2,(H,26,28)