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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

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