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

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-3-methyl-4-oxidanyl-5-propanoyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methyl-5-propanoyl-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methyl-5-(1-oxopropyl)-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methyl-5-propanoyl-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-3-methyl-5-propionyl-benzothiophene-6-carboxylic acid methyl ester Formula: C22H22O6S MolecularWeight: 414.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6S/c1-6-13(23)18-19(22(25)28-5)17(21-16(20(18)24)11(2)10-29-21)12-7-8-14(26-3)15(9-12)27-4/h7-10,24H,6H2,1-5H3