[(1R)-1-cyanoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OC(C)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C17H17N3O2S/c1-11-8-12(2)20-17(19-11)23-10-14-6-4-5-7-15(14)16(21)22-13(3)9-18/h4-8,13H,10H2,1-3H3/t13-/m1/s1