methyl 2-[bis(fluoranyl)methyl]-5-[(2-chloranyl-1,3-thiazol-5-yl)-oxidanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-[bis(fluoranyl)methyl]-5-[(2-chloranyl-1,3-thiazol-5-yl)-oxidanyl-methyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 5-[(2-chlorothiazol-5-yl)-hydroxy-methyl]-2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-[(2-chloro-5-thiazolyl)-hydroxymethyl]-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-[(2-chlorothiazol-5-yl)-hydroxy-methyl]-2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C17H16ClF5N2O3S MolecularWeight: 458.830556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C(C2=CN=C(S2)Cl)O)C(F)(F)F)C(F)F)C(=O)OC

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C(C2=CN=C(S2)Cl)O)C(F)(F)F)C(F)F)C(=O)OC

InChI

InChI=1S/C17H16ClF5N2O3S/c1-6(2)4-7-9(15(27)28-3)11(14(19)20)25-13(17(21,22)23)10(7)12(26)8-5-24-16(18)29-8/h5-6,12,14,26H,4H2,1-3H3