methyl hydrogen sulfate; 2-methylsulfanyl-1,3-benzothiazole

Systemtic Name: methyl hydrogen sulfate; 2-methylsulfanyl-1,3-benzothiazole Openeye Name: methyl hydrogen sulfate; 2-methylsulfanyl-1,3-benzothiazole CAS Name: 2-(methylthio)-1,3-benzothiazole; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-methylsulfanyl-1,3-benzothiazole Traditional Name: 2-(methylthio)-1,3-benzothiazole; sulfuric acid methyl ester Formula: C9H11NO4S3 MolecularWeight: 293.38294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)O.CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

COS(=O)(=O)O.CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C8H7NS2.CH4O4S/c1-10-8-9-6-4-2-3-5-7(6)11-8;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)