methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-oxidanyl-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-oxidanyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethyl-1-oxopentyl)-4-hydroxy-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-benzothiophene-6-carboxylic acid methyl ester Formula: C25H28O6S MolecularWeight: 456.55122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(=O)C1=C(C(=C2C(=C1O)C=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CCC(CC)CC(=O)C1=C(C(=C2C(=C1O)C=CS2)C3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C25H28O6S/c1-6-14(7-2)12-17(26)21-22(25(28)31-5)20(24-16(23(21)27)10-11-32-24)15-8-9-18(29-3)19(13-15)30-4/h8-11,13-14,27H,6-7,12H2,1-5H3