dimethyl 7-(1,3-benzodioxol-5-yl)-4-oxidanyl-1-benzothiophene-5,6-dicarboxylate

Systemtic Name: dimethyl 7-(1,3-benzodioxol-5-yl)-4-oxidanyl-1-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl 7-(1,3-benzodioxol-5-yl)-4-hydroxy-benzothiophene-5,6-dicarboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-4-hydroxy-1-benzothiophene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(1,3-benzodioxol-5-yl)-4-hydroxy-1-benzothiophene-5,6-dicarboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-4-hydroxy-benzothiophene-5,6-dicarboxylic acid dimethyl ester Formula: C19H14O7S MolecularWeight: 386.37526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2C=CSC2=C1C3=CC4=C(C=C3)OCO4)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=C2C=CSC2=C1C3=CC4=C(C=C3)OCO4)O)C(=O)OC

InChI

InChI=1S/C19H14O7S/c1-23-18(21)14-13(9-3-4-11-12(7-9)26-8-25-11)17-10(5-6-27-17)16(20)15(14)19(22)24-2/h3-7,20H,8H2,1-2H3