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

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-3-methoxy-4-oxidanyl-5-propanoyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-5-propanoyl-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-5-(1-oxopropyl)-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-5-propanoyl-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methoxy-5-propionyl-benzothiophene-6-carboxylic acid methyl ester Formula: C22H22O7S MolecularWeight: 430.47088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O7S/c1-6-12(23)17-19(22(25)29-5)16(11-7-8-13(26-2)14(9-11)27-3)21-18(20(17)24)15(28-4)10-30-21/h7-10,24H,6H2,1-5H3