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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoate CAS Name: 2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-20(2,3)16(23)10-25-19(24)14-6-4-5-7-15(14)28-12-17-21-18(22-26-17)13-8-9-27-11-13/h4-9,11H,10,12H2,1-3H3