ethyl 5-acetamido-4-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-acetamido-4-nitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-acetamido-4-nitro-benzothiophene-2-carboxylate CAS Name: 5-acetamido-4-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-4-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-acetamido-4-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C13H12N2O5S/c1-3-20-13(17)11-6-8-10(21-11)5-4-9(14-7(2)16)12(8)15(18)19/h4-6H,3H2,1-2H3,(H,14,16)