ethyl 3-methyl-4,7-bis(oxidanyl)-5-(phenylcarbonyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4,7-bis(oxidanyl)-5-(phenylcarbonyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-benzoyl-4,7-dihydroxy-3-methyl-benzothiophene-2-carboxylate CAS Name: 5-benzoyl-4,7-dihydroxy-3-methyl-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-4,7-dihydroxy-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 5-benzoyl-4,7-dihydroxy-3-methyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H16O5S MolecularWeight: 356.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC(=C2S1)O)C(=O)C3=CC=CC=C3)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC(=C2S1)O)C(=O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C19H16O5S/c1-3-24-19(23)17-10(2)14-16(22)12(9-13(20)18(14)25-17)15(21)11-7-5-4-6-8-11/h4-9,20,22H,3H2,1-2H3