(5-ethanoyl-2-ethoxy-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6S/c1-3-26-17-6-4-13(12(2)22)8-15(17)11-27-20(23)19-10-14-9-16(21(24)25)5-7-18(14)28-19/h4-10H,3,11H2,1-2H3