methyl 9-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-7-yl]nonanoate

Systemtic Name: methyl 9-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-7-yl]nonanoate Openeye Name: methyl 9-(1,1,3-trioxo-1,2-benzothiazol-7-yl)nonanoate CAS Name: 9-(1,1,3-trioxo-1,2-benzothiazol-7-yl)nonanoic acid methyl ester IUPAC Name: methyl 9-(1,1,3-trioxo-1,2-benzothiazol-7-yl)nonanoate Traditional Name: 9-(1,1,3-triketo-1,2-benzothiazol-7-yl)pelargonic acid methyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCC1=CC=CC2=C1S(=O)(=O)NC2=O

Isomeric SMILES

COC(=O)CCCCCCCCC1=CC=CC2=C1S(=O)(=O)NC2=O

InChI

InChI=1S/C17H23NO5S/c1-23-15(19)12-7-5-3-2-4-6-9-13-10-8-11-14-16(13)24(21,22)18-17(14)20/h8,10-11H,2-7,9,12H2,1H3,(H,18,20)