1-(1,3-benzothiazol-2-yl)octane-1,3-dione

Systemtic Name: 1-(1,3-benzothiazol-2-yl)octane-1,3-dione Openeye Name: 1-(1,3-benzothiazol-2-yl)octane-1,3-dione CAS Name: 1-(1,3-benzothiazol-2-yl)octane-1,3-dione IUPAC Name: 1-(1,3-benzothiazol-2-yl)octane-1,3-dione Traditional Name: 1-(1,3-benzothiazol-2-yl)octane-1,3-dione Formula: C15H17NO2S MolecularWeight: 275.36598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCC(=O)CC(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H17NO2S/c1-2-3-4-7-11(17)10-13(18)15-16-12-8-5-6-9-14(12)19-15/h5-6,8-9H,2-4,7,10H2,1H3