ethyl (6S)-3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-2-oxidanylidene-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-2-oxo-6-phenyl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-6-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S/c1-3-28-14(12-32-19-25-11-10-15(26-19)21(22,23)24)16(18(29)31-4-2)17(27-20(28)30)13-8-6-5-7-9-13/h5-11,17H,3-4,12H2,1-2H3,(H,27,30)/t17-/m0/s1