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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(SCCC2)CBr

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(SCCC2)CBr

InChI

InChI=1S/C13H17BrOS/c1-2-15-11-5-6-12-10(8-11)4-3-7-16-13(12)9-14/h5-6,8,13H,2-4,7,9H2,1H3