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

Systemtic Name: 1-(bromomethyl)-7-methoxy-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-7-methoxy-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-7-methoxy-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-7-methoxy-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-7-methoxy-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzothiepin Formula: C13H14BrF3OS MolecularWeight: 355.21387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrF3OS/c1-18-11-5-8-3-2-4-19-12(7-14)9(8)6-10(11)13(15,16)17/h5-6,12H,2-4,7H2,1H3