ethyl 4-(2-fluorophenyl)-5-(methylperoxysulfanyloxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-fluorophenyl)-5-(methylperoxysulfanyloxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 4-(2-fluorophenyl)-2,6-diisopropyl-5-(methylperoxysulfanyloxymethyl)pyridine-3-carboxylate CAS Name: 4-(2-fluorophenyl)-5-[(methyldioxythio)oxymethyl]-2,6-di(propan-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-fluorophenyl)-5-(methylperoxysulfanyloxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate Traditional Name: 4-(2-fluorophenyl)-2,6-diisopropyl-5-[(methylperoxythio)oxymethyl]nicotinic acid ethyl ester Formula: C22H28FNO5S MolecularWeight: 437.524823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)COSOOC)C2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)COSOOC)C2=CC=CC=C2F

InChI

InChI=1S/C22H28FNO5S/c1-7-27-22(25)19-18(15-10-8-9-11-17(15)23)16(12-28-30-29-26-6)20(13(2)3)24-21(19)14(4)5/h8-11,13-14H,7,12H2,1-6H3