dimethyl 2-[bis(fluoranyl)-methylsulfanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-[bis(fluoranyl)-methylsulfanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-[difluoro(methylsulfanyl)methyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylate CAS Name: 2-[difluoro-(methylthio)methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[difluoro(methylsulfanyl)methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate Traditional Name: 2-[difluoro-(methylthio)methyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C16H18F5NO4S MolecularWeight: 415.375436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)SC)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)SC)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H18F5NO4S/c1-7(2)6-8-9(13(23)25-3)11(15(17,18)19)22-12(16(20,21)27-5)10(8)14(24)26-4/h7H,6H2,1-5H3