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

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-3-methoxy-4-oxidanyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethyl-1-oxopentyl)-4-hydroxy-3-methoxy-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-benzothiophene-6-carboxylic acid methyl ester Formula: C26H30O7S MolecularWeight: 486.5772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O7S/c1-7-14(8-2)11-16(27)21-23(26(29)33-6)20(15-9-10-17(30-3)18(12-15)31-4)25-22(24(21)28)19(32-5)13-34-25/h9-10,12-14,28H,7-8,11H2,1-6H3