1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(SCCCC2=C1)CBr)OC

Isomeric SMILES

COC1=C(C=C2C(SCCCC2=C1)CBr)OC

InChI

InChI=1S/C13H17BrO2S/c1-15-11-6-9-4-3-5-17-13(8-14)10(9)7-12(11)16-2/h6-7,13H,3-5,8H2,1-2H3