dimethyl 7-(3,4-dimethoxyphenyl)-2-methanoyl-4-oxidanyl-1-benzothiophene-5,6-dicarboxylate

Systemtic Name: dimethyl 7-(3,4-dimethoxyphenyl)-2-methanoyl-4-oxidanyl-1-benzothiophene-5,6-dicarboxylate Openeye Name: dimethyl 7-(3,4-dimethoxyphenyl)-2-formyl-4-hydroxy-benzothiophene-5,6-dicarboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-2-formyl-4-hydroxy-1-benzothiophene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(3,4-dimethoxyphenyl)-2-formyl-4-hydroxy-1-benzothiophene-5,6-dicarboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-2-formyl-4-hydroxy-benzothiophene-5,6-dicarboxylic acid dimethyl ester Formula: C21H18O8S MolecularWeight: 430.42782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)OC)C(=O)OC)O)C=C(S3)C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=C(C(=C2C(=O)OC)C(=O)OC)O)C=C(S3)C=O)OC

InChI

InChI=1S/C21H18O8S/c1-26-13-6-5-10(7-14(13)27-2)15-16(20(24)28-3)17(21(25)29-4)18(23)12-8-11(9-22)30-19(12)15/h5-9,23H,1-4H3