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

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C20H22N4O8S/c1-5-22(6-2)19(26)16-11(4)15(20(27)32-7-3)18(33-16)21-17(25)12-8-13(23(28)29)10-14(9-12)24(30)31/h8-10H,5-7H2,1-4H3,(H,21,25)