4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl methanesulfonate

Systemtic Name: 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl methanesulfonate Openeye Name: 4-(2-thioxo-1,3-benzothiazol-3-yl)butyl methanesulfonate CAS Name: methanesulfonic acid 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl ester IUPAC Name: 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butyl methanesulfonate Traditional Name: methanesulfonic acid 4-(2-thioxo-1,3-benzothiazol-3-yl)butyl ester Formula: C12H15NO3S3 MolecularWeight: 317.4474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCN1C2=CC=CC=C2SC1=S

Isomeric SMILES

CS(=O)(=O)OCCCCN1C2=CC=CC=C2SC1=S

InChI

InChI=1S/C12H15NO3S3/c1-19(14,15)16-9-5-4-8-13-10-6-2-3-7-11(10)18-12(13)17/h2-3,6-7H,4-5,8-9H2,1H3