hexyl 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: hexyl 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: hexyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid hexyl ester IUPAC Name: hexyl 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid hexyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCN1C2=CC=CC=C2SC1=O

Isomeric SMILES

CCCCCCOC(=O)CCN1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C16H21NO3S/c1-2-3-4-7-12-20-15(18)10-11-17-13-8-5-6-9-14(13)21-16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3