(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]benzoate CAS Name: 2-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]benzoate Traditional Name: 2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C24H25NO5S/c1-24(2,3)22(26)14-29-23(27)18-10-6-8-12-21(18)31-15-16-13-19(25-30-16)17-9-5-7-11-20(17)28-4/h5-13H,14-15H2,1-4H3