6-ethoxy-2-(2-methylheptan-2-yl)-1,2-benzothiazol-3-one

Systemtic Name: 6-ethoxy-2-(2-methylheptan-2-yl)-1,2-benzothiazol-3-one Openeye Name: 2-(1,1-dimethylhexyl)-6-ethoxy-1,2-benzothiazol-3-one CAS Name: 6-ethoxy-2-(2-methylheptan-2-yl)-1,2-benzothiazol-3-one IUPAC Name: 6-ethoxy-2-(2-methylheptan-2-yl)-1,2-benzothiazol-3-one Traditional Name: 2-(1,1-dimethylhexyl)-6-ethoxy-1,2-benzothiazol-3-one Formula: C17H25NO2S MolecularWeight: 307.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)N1C(=O)C2=C(S1)C=C(C=C2)OCC

Isomeric SMILES

CCCCCC(C)(C)N1C(=O)C2=C(S1)C=C(C=C2)OCC

InChI

InChI=1S/C17H25NO2S/c1-5-7-8-11-17(3,4)18-16(19)14-10-9-13(20-6-2)12-15(14)21-18/h9-10,12H,5-8,11H2,1-4H3