ethyl 4-(2,5-dimethylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-5-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S/c1-5-28-21(25)18-17(14-10-11(2)6-7-12(14)3)13(4)30-20(18)22-19(24)15-8-9-16(29-15)23(26)27/h6-10H,5H2,1-4H3,(H,22,24)