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

Systemtic Name: methyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-isobutylphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-isobutylphenyl)-5-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H22N2O6S/c1-12(2)11-14-5-7-15(8-6-14)18-13(3)31-21(19(18)22(26)29-4)23-20(25)16-9-10-17(30-16)24(27)28/h5-10,12H,11H2,1-4H3,(H,23,25)