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

Systemtic Name: 7-(3,4-dimethoxyphenyl)-6-methoxycarbonyl-4-oxidanyl-1-benzothiophene-5-carboxylic acid Openeye Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-6-methoxycarbonyl-benzothiophene-5-carboxylic acid CAS Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-6-methoxycarbonyl-1-benzothiophene-5-carboxylic acid IUPAC Name: 7-(3,4-dimethoxyphenyl)-4-hydroxy-6-methoxycarbonyl-1-benzothiophene-5-carboxylic acid Traditional Name: 6-carbomethoxy-7-(3,4-dimethoxyphenyl)-4-hydroxy-benzothiophene-5-carboxylic acid Formula: C19H16O7S MolecularWeight: 388.39114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)OC)C(=O)O)O)C=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)OC)C(=O)O)O)C=CS3)OC

InChI

InChI=1S/C19H16O7S/c1-24-11-5-4-9(8-12(11)25-2)13-14(19(23)26-3)15(18(21)22)16(20)10-6-7-27-17(10)13/h4-8,20H,1-3H3,(H,21,22)