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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]benzoate CAS Name: 2-[[5-(2-furanyl)-3-isoxazolyl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]benzoate Traditional Name: 2-[[5-(2-furyl)isoxazol-3-yl]methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C3=CC=CO3

InChI

InChI=1S/C21H21NO5S/c1-21(2,3)19(23)12-26-20(24)15-7-4-5-9-18(15)28-13-14-11-17(27-22-14)16-8-6-10-25-16/h4-11H,12-13H2,1-3H3