[3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-3-methyl-4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-3-methyl-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-3-methyl-4-(o-tolyl)butaneperoxoate CAS Name: 2-cyano-3-methyl-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-3-methyl-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-cyano-3-methyl-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C24H23NO4S MolecularWeight: 421.50872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CC(C)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C24H23NO4S/c1-17-6-3-4-7-20(17)12-18(2)23(14-25)24(26)29-28-22-9-5-8-21(13-22)27-15-19-10-11-30-16-19/h3-11,13,16,18,23H,12,15H2,1-2H3