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

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-(2-methylphenyl)ethaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-2-(o-tolyl)peroxyacetate CAS Name: 2-cyano-2-(2-methylphenyl)ethaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-(2-methylphenyl)ethaneperoxoate Traditional Name: 2-cyano-2-(o-tolyl)peracetic acid [3-(3-thenyloxy)phenyl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C21H17NO4S/c1-15-5-2-3-8-19(15)20(12-22)21(23)26-25-18-7-4-6-17(11-18)24-13-16-9-10-27-14-16/h2-11,14,20H,13H2,1H3