[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [(1R)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [(2R)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [(1R)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C)OC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C22H28N2O4S/c1-14-9-11-24(12-10-14)21(25)17(4)27-22(26)18-7-5-6-8-20(18)29-13-19-15(2)23-28-16(19)3/h5-8,14,17H,9-13H2,1-4H3/t17-/m1/s1