ethyl 2-benzamido-5-ethanoyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-5-ethanoyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-benzamido-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 5-acetyl-2-benzamido-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-benzamido-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-acetyl-2-benzamido-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S/c1-3-30-22(27)18-17(14-9-11-16(12-10-14)24(28)29)19(13(2)25)31-21(18)23-20(26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,23,26)