2-(2,2-dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one

Systemtic Name: 2-(2,2-dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one Openeye Name: 2-(2,2-dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one CAS Name: 2-(2,2-dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one IUPAC Name: 2-(2,2-dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one Traditional Name: 7-methyl-2-neopentyl-1,2-benzothiazol-3-one Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SN(C2=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1SN(C2=O)CC(C)(C)C

InChI

InChI=1S/C13H17NOS/c1-9-6-5-7-10-11(9)16-14(12(10)15)8-13(2,3)4/h5-7H,8H2,1-4H3