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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[[3-(trifluoromethyl)phenyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[[3-(trifluoromethyl)phenyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19F3N2O3S MolecularWeight: 388.40457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H19F3N2O3S/c1-3-12-14(15(23)25-4-2)13(22-16(24)21-12)9-26-11-7-5-6-10(8-11)17(18,19)20/h5-8,12H,3-4,9H2,1-2H3,(H2,21,22,24)/t12-/m0/s1