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

Systemtic Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O7S/c1-4-32-22(27)19-18(14-8-6-5-7-9-14)13(3)33-21(19)23-20(26)15-10-16(24(28)29)12(2)17(11-15)25(30)31/h5-11H,4H2,1-3H3,(H,23,26)