methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-12-17(13-6-10-16(28-2)11-7-13)18(21(25)29-3)20(30-12)22-19(24)14-4-8-15(9-5-14)23(26)27/h4-11H,1-3H3,(H,22,24)