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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO6S/c1-11(21)12-3-5-16(25-2)14(7-12)10-26-19(22)18-9-13-8-15(20(23)24)4-6-17(13)27-18/h3-9H,10H2,1-2H3