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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H21NO4S/c1-12-9-13(19-23-12)11-24-15-8-6-5-7-14(15)17(21)22-10-16(20)18(2,3)4/h5-9H,10-11H2,1-4H3