[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-13-11-14(2)23-20(22-13)28-12-16-9-7-8-10-17(16)19(26)27-15(3)18(25)24-21(4,5)6/h7-11,15H,12H2,1-6H3,(H,24,25)/t15-/m1/s1