ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O9S MolecularWeight: 515.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O9S/c1-5-35-23(28)20-15(13-6-7-18(33-3)19(10-13)34-4)11-36-22(20)24-21(27)14-8-16(25(29)30)12(2)17(9-14)26(31)32/h6-11H,5H2,1-4H3,(H,24,27)