tert-butyl (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[6-methyl-1-oxo-2-(p-tolylsulfonyl)-3,4-dihydroisoquinolin-5-yl]prop-2-enoate CAS Name: (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-3,4-dihydroisoquinolin-5-yl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-3,4-dihydroisoquinolin-5-yl]prop-2-enoate Traditional Name: (E)-3-(1-keto-6-methyl-2-tosyl-3,4-dihydroisoquinolin-5-yl)acrylic acid tert-butyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2=O)C=CC(=C3C=CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2=O)C=CC(=C3/C=C/C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H27NO5S/c1-16-6-9-18(10-7-16)31(28,29)25-15-14-20-19(12-13-22(26)30-24(3,4)5)17(2)8-11-21(20)23(25)27/h6-13H,14-15H2,1-5H3/b13-12+