ethyl 3-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-(2,4-dimethoxyphenyl)-2-oxo-ethoxy]benzothiophene-2-carboxylate CAS Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(2,4-dimethoxyphenyl)-2-keto-ethoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H20O6S/c1-4-26-21(23)20-19(15-7-5-6-8-18(15)28-20)27-12-16(22)14-10-9-13(24-2)11-17(14)25-3/h5-11H,4,12H2,1-3H3