methyl 4-(4-tert-butylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6S/c1-21(2,3)13-7-5-12(6-8-13)14-11-30-19(17(14)20(25)28-4)22-18(24)15-9-10-16(29-15)23(26)27/h5-11H,1-4H3,(H,22,24)