ethyl 6-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClF3N3O3S MolecularWeight: 423.83769

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OCC

InChI

InChI=1S/C16H17ClF3N3O3S/c1-3-10-12(14(24)26-4-2)11(23-15(25)22-10)7-27-13-9(17)5-8(6-21-13)16(18,19)20/h5-6,10H,3-4,7H2,1-2H3,(H2,22,23,25)