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

Systemtic Name: methyl 4-(4-cyclohexylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-cyclohexylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-cyclohexylphenyl)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclohexylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-cyclohexylphenyl)-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-30-23(27)20-17(16-9-7-15(8-10-16)14-5-3-2-4-6-14)13-32-22(20)24-21(26)18-11-12-19(31-18)25(28)29/h7-14H,2-6H2,1H3,(H,24,26)