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

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-4-(o-tolyl)butaneperoxoate CAS Name: 2-cyano-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-cyano-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H21NO4S/c1-17-5-2-3-6-19(17)9-10-20(14-24)23(25)28-27-22-8-4-7-21(13-22)26-15-18-11-12-29-16-18/h2-8,11-13,16,20H,9-10,15H2,1H3