methyl (4S)-1-ethyl-6-methyl-2-oxidanylidene-4-phenyl-3-(trifluoromethylsulfonyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-oxidanylidene-4-phenyl-3-(trifluoromethylsulfonyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-6-methyl-2-oxo-4-phenyl-3-(trifluoromethylsulfonyl)-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-2-oxo-4-phenyl-3-(trifluoromethylsulfonyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-2-oxo-4-phenyl-3-(trifluoromethylsulfonyl)-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-2-keto-6-methyl-4-phenyl-3-triflyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H17F3N2O5S MolecularWeight: 406.37679

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N(C1=O)S(=O)(=O)C(F)(F)F)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N(C1=O)S(=O)(=O)C(F)(F)F)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C16H17F3N2O5S/c1-4-20-10(2)12(14(22)26-3)13(11-8-6-5-7-9-11)21(15(20)23)27(24,25)16(17,18)19/h5-9,13H,4H2,1-3H3/t13-/m0/s1