1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepin Formula: C12H15BrOS MolecularWeight: 287.2159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(SCCC2)CBr

Isomeric SMILES

COC1=CC=CC2=C1C(SCCC2)CBr

InChI

InChI=1S/C12H15BrOS/c1-14-10-6-2-4-9-5-3-7-15-11(8-13)12(9)10/h2,4,6,11H,3,5,7-8H2,1H3