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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H18N2O9S MolecularWeight: 474.44062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O9S/c1-3-30-21(26)18-14(12-4-6-13(29-2)7-5-12)11-33-19(18)22-16(24)10-31-20(25)15-8-9-17(32-15)23(27)28/h4-9,11H,3,10H2,1-2H3,(H,22,24)