1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-9-methoxy-7-propyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C15H21BrOS MolecularWeight: 329.29564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(SCCCC2=C1)CBr)OC

Isomeric SMILES

CCCC1=CC(=C2C(SCCCC2=C1)CBr)OC

InChI

InChI=1S/C15H21BrOS/c1-3-5-11-8-12-6-4-7-18-14(10-16)15(12)13(9-11)17-2/h8-9,14H,3-7,10H2,1-2H3