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

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O5S/c1-4-30-22(27)19-16(14-6-5-12(2)13(3)9-14)11-31-21(19)24-20(26)15-7-8-17(23)18(10-15)25(28)29/h5-11H,4H2,1-3H3,(H,24,26)