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

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-3-methyl-4-oxidanyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methyl-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethyl-1-oxopentyl)-4-hydroxy-3-methyl-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methyl-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methyl-benzothiophene-6-carboxylic acid methyl ester Formula: C26H30O6S MolecularWeight: 470.5778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O6S/c1-7-15(8-2)11-17(27)22-23(26(29)32-6)21(25-20(24(22)28)14(3)13-33-25)16-9-10-18(30-4)19(12-16)31-5/h9-10,12-13,15,28H,7-8,11H2,1-6H3