[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C20H25N3O4S/c1-13-8-10-23(11-9-13)19(24)14(2)26-20(25)16-6-4-5-7-17(16)28-12-18-21-15(3)22-27-18/h4-7,13-14H,8-12H2,1-3H3