ethyl 2-acetamido-7-acetyloxy-4,6-dinitro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-acetyloxy-4,6-dinitro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-acetoxy-4,6-dinitro-benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-acetyloxy-4,6-dinitro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-acetyloxy-4,6-dinitro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-acetoxy-4,6-dinitro-benzothiophene-3-carboxylic acid ethyl ester Formula: C15H13N3O9S MolecularWeight: 411.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=CC(=C2OC(=O)C)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2OC(=O)C)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C15H13N3O9S/c1-4-26-15(21)11-10-8(17(22)23)5-9(18(24)25)12(27-7(3)20)13(10)28-14(11)16-6(2)19/h5H,4H2,1-3H3,(H,16,19)