ethyl 4-(2,4-dimethylphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[(3-methyl-4-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-5-30-23(27)20-18(17-8-6-13(2)10-14(17)3)12-31-22(20)24-21(26)16-7-9-19(25(28)29)15(4)11-16/h6-12H,5H2,1-4H3,(H,24,26)