1-(bromomethyl)-5,6-dimethoxy-3,4-dihydro-1H-isothiochromene

Systemtic Name: 1-(bromomethyl)-5,6-dimethoxy-3,4-dihydro-1H-isothiochromene Openeye Name: 1-(bromomethyl)-5,6-dimethoxy-isothiochromane CAS Name: 1-(bromomethyl)-5,6-dimethoxy-3,4-dihydro-1H-2-benzothiopyran IUPAC Name: 1-(bromomethyl)-5,6-dimethoxy-3,4-dihydro-1H-isothiochromene Traditional Name: 1-(bromomethyl)-5,6-dimethoxy-isothiochroman Formula: C12H15BrO2S MolecularWeight: 303.2153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(SCC2)CBr)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(SCC2)CBr)OC

InChI

InChI=1S/C12H15BrO2S/c1-14-10-4-3-8-9(12(10)15-2)5-6-16-11(8)7-13/h3-4,11H,5-7H2,1-2H3