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

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-(2-fluorophenyl)ethaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-2-(2-fluorophenyl)peroxyacetate CAS Name: 2-cyano-2-(2-fluorophenyl)ethaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-(2-fluorophenyl)ethaneperoxoate Traditional Name: 2-cyano-2-(2-fluorophenyl)peracetic acid [3-(3-thenyloxy)phenyl] ester Formula: C20H14FNO4S MolecularWeight: 383.392863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3)F

InChI

InChI=1S/C20H14FNO4S/c21-19-7-2-1-6-17(19)18(11-22)20(23)26-25-16-5-3-4-15(10-16)24-12-14-8-9-27-13-14/h1-10,13,18H,12H2