methyl 4-(4-ethylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O6S/c1-4-12-5-7-13(8-6-12)16-11(2)29-19(17(16)20(24)27-3)21-18(23)14-9-10-15(28-14)22(25)26/h5-10H,4H2,1-3H3,(H,21,23)