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

Systemtic Name: ethyl 2-acetamido-4,6-dinitro-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-hydroxy-4,6-dinitro-benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-hydroxy-4,6-dinitro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-hydroxy-4,6-dinitro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-hydroxy-4,6-dinitro-benzothiophene-3-carboxylic acid ethyl ester Formula: C13H11N3O8S MolecularWeight: 369.30674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C13H11N3O8S/c1-3-24-13(19)9-8-6(15(20)21)4-7(16(22)23)10(18)11(8)25-12(9)14-5(2)17/h4,18H,3H2,1-2H3,(H,14,17)