3-(3,3-dimethylbutanoyl)-1,3-benzothiazol-2-one

Systemtic Name: 3-(3,3-dimethylbutanoyl)-1,3-benzothiazol-2-one Openeye Name: 3-(3,3-dimethylbutanoyl)-1,3-benzothiazol-2-one CAS Name: 3-(3,3-dimethyl-1-oxobutyl)-1,3-benzothiazol-2-one IUPAC Name: 3-(3,3-dimethylbutanoyl)-1,3-benzothiazol-2-one Traditional Name: 3-(3,3-dimethylbutanoyl)-1,3-benzothiazol-2-one Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C2=CC=CC=C2SC1=O

Isomeric SMILES

CC(C)(C)CC(=O)N1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)8-11(15)14-9-6-4-5-7-10(9)17-12(14)16/h4-7H,8H2,1-3H3