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

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N3O8S/c1-5-34-16-8-6-14(7-9-16)19-13(3)35-22(20(19)23(28)33-4)24-21(27)15-10-17(25(29)30)12(2)18(11-15)26(31)32/h6-11H,5H2,1-4H3,(H,24,27)