(phenylmethyl) 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: (phenylmethyl) 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: benzyl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid benzyl ester Formula: C19H20O5S2 MolecularWeight: 392.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C19H20O5S2/c1-19(2)9-13-15(14(20)10-19)18(26(3,22)23)25-16(13)17(21)24-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3