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

Systemtic Name: methyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-5-12(2)14-6-8-15(9-7-14)18-13(3)31-21(19(18)22(26)29-4)23-20(25)16-10-11-17(30-16)24(27)28/h6-12H,5H2,1-4H3,(H,23,25)