7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-(methoxymethoxy)-1-benzothiophene-5-carboxylic acid

Systemtic Name: 7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-(methoxymethoxy)-1-benzothiophene-5-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-(methoxymethoxy)benzothiophene-5-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-(methoxymethoxy)-1-benzothiophene-5-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-(methoxymethoxy)-1-benzothiophene-5-carboxylic acid Traditional Name: 6-carbomethoxy-7-(3,4-dimethoxyphenyl)-4-(methoxymethoxy)benzothiophene-5-carboxylic acid Formula: C21H20O8S MolecularWeight: 432.4437

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C2C=CSC2=C(C(=C1C(=O)O)C(=O)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCOC1=C2C=CSC2=C(C(=C1C(=O)O)C(=O)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20O8S/c1-25-10-29-18-12-7-8-30-19(12)15(16(21(24)28-4)17(18)20(22)23)11-5-6-13(26-2)14(9-11)27-3/h5-9H,10H2,1-4H3,(H,22,23)