[2-cyano-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [2-cyano-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate Openeye Name: [2-cyano-5-(3-thienylmethoxy)phenyl] 4-(o-tolyl)butaneperoxoate CAS Name: 4-(2-methylphenyl)butaneperoxoic acid [2-cyano-5-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [2-cyano-5-(thiophen-3-ylmethoxy)phenyl] 4-(2-methylphenyl)butaneperoxoate Traditional Name: 4-(o-tolyl)peroxybutyric acid [2-cyano-5-(3-thenyloxy)phenyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

InChI

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