(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-22(2,3)18(25)13-27-21(26)16-11-7-8-12-17(16)29-14-19-23-20(24-28-19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3