propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H26N4O8S MolecularWeight: 506.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O8S/c1-7-24(8-2)21(28)18-13(6)17(22(29)34-11(3)4)20(35-18)23-19(27)14-9-15(25(30)31)12(5)16(10-14)26(32)33/h9-11H,7-8H2,1-6H3,(H,23,27)