7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-(hydroxymethyl)-1-benzothiophene-6-carboxylic acid

Systemtic Name: 7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-(hydroxymethyl)-1-benzothiophene-6-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-oxo-ethoxy)-5-(hydroxymethyl)benzothiophene-6-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-1-benzothiophene-6-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-1-benzothiophene-6-carboxylic acid Traditional Name: 7-(3,4-dimethoxyphenyl)-4-(2-ethoxy-2-keto-ethoxy)-5-methylol-benzothiophene-6-carboxylic acid Formula: C22H22O8S MolecularWeight: 446.47028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C2C=CSC2=C(C(=C1CO)C(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)COC1=C2C=CSC2=C(C(=C1CO)C(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H22O8S/c1-4-29-17(24)11-30-20-13-7-8-31-21(13)18(19(22(25)26)14(20)10-23)12-5-6-15(27-2)16(9-12)28-3/h5-9,23H,4,10-11H2,1-3H3,(H,25,26)