dimethyl 7-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate

Systemtic Name: dimethyl 7-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate Openeye Name: dimethyl 7-(p-tolylsulfonylmethyl)-6,7-dihydro-4H-benzothiophene-5,5-dicarboxylate CAS Name: 7-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate Traditional Name: 7-(tosylmethyl)-6,7-dihydro-4H-benzothiophene-5,5-dicarboxylic acid dimethyl ester Formula: C20H22O6S2 MolecularWeight: 422.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2CC(CC3=C2SC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2CC(CC3=C2SC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22O6S2/c1-13-4-6-16(7-5-13)28(23,24)12-15-11-20(18(21)25-2,19(22)26-3)10-14-8-9-27-17(14)15/h4-9,15H,10-12H2,1-3H3