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

Systemtic Name: ethyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]-4-(4-sec-butylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-butan-2-ylphenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(5-nitro-2-furoyl)amino]-4-(4-sec-butylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6S/c1-5-13(3)15-7-9-16(10-8-15)19-14(4)32-22(20(19)23(27)30-6-2)24-21(26)17-11-12-18(31-17)25(28)29/h7-13H,5-6H2,1-4H3,(H,24,26)