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

Systemtic Name: ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-4,6-dinitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-4,6-dinitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4,6-dinitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C13H11N3O7S MolecularWeight: 353.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C13H11N3O7S/c1-3-23-13(18)12-11(14-6(2)17)10-8(16(21)22)4-7(15(19)20)5-9(10)24-12/h4-5H,3H2,1-2H3,(H,14,17)