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

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C16H13FN2O3S MolecularWeight: 332.349423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)F

InChI

InChI=1S/C16H13FN2O3S/c1-9-3-4-11(5-13(9)17)16(21)22-7-14(20)12(6-18)15-19-10(2)8-23-15/h3-5,8,12H,7H2,1-2H3/t12-/m0/s1