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

Systemtic Name: ethyl (4S)-6-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19F3N4O3S MolecularWeight: 428.42867

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N)C(=O)OCC

InChI

InChI=1S/C18H19F3N4O3S/c1-4-12-14(16(26)28-5-2)13(25-17(27)24-12)8-29-15-10(7-22)11(18(19,20)21)6-9(3)23-15/h6,12H,4-5,8H2,1-3H3,(H2,24,25,27)/t12-/m0/s1