[(E)-3-phenylprop-2-enyl] 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: [(E)-cinnamyl] 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 [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 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 [(E)-cinnamyl] ester Formula: C21H22O5S2 MolecularWeight: 418.52638

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)OCC=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S2/c1-21(2)12-15-17(16(22)13-21)20(28(3,24)25)27-18(15)19(23)26-11-7-10-14-8-5-4-6-9-14/h4-10H,11-13H2,1-3H3/b10-7+