1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-7-methoxy-5-methyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C13H17BrOS MolecularWeight: 301.24248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC(C2=C1C=C(C=C2)OC)CBr

Isomeric SMILES

CC1CCSC(C2=C1C=C(C=C2)OC)CBr

InChI

InChI=1S/C13H17BrOS/c1-9-5-6-16-13(8-14)11-4-3-10(15-2)7-12(9)11/h3-4,7,9,13H,5-6,8H2,1-2H3