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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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