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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)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-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-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-(p-tolyl)ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C21H20N2O4S/c1-13-8-10-16(11-9-13)20(24)14(2)26-21(25)17-6-4-5-7-18(17)28-12-19-22-15(3)23-27-19/h4-11,14H,12H2,1-3H3