[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(trifluoromethyl)benzoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H11F3N2O3S MolecularWeight: 368.33035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H11F3N2O3S/c1-9-8-25-14(21-9)11(6-20)13(22)7-24-15(23)10-4-2-3-5-12(10)16(17,18)19/h2-5,8,11H,7H2,1H3/t11-/m1/s1