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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-phenyloxazol-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-phenyl-2-oxazolyl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-phenyloxazol-2-yl)methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S/c1-23(2,3)20(25)14-27-22(26)17-11-7-8-12-19(17)29-15-21-24-13-18(28-21)16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3