ethyl 5-aminocarbonyl-2-[(2,4-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[(2,4-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[(2,4-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[(2,4-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[(2,4-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H14N4O8S MolecularWeight: 422.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O8S/c1-3-28-16(23)11-7(2)12(13(17)21)29-15(11)18-14(22)9-5-4-8(19(24)25)6-10(9)20(26)27/h4-6H,3H2,1-2H3,(H2,17,21)(H,18,22)