[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8S/c1-4-30-22(27)19-15(14-6-5-12(2)9-13(14)3)11-33-20(19)23-17(25)10-31-21(26)16-7-8-18(32-16)24(28)29/h5-9,11H,4,10H2,1-3H3,(H,23,25)