1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepine

Systemtic Name: 1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepine Openeye Name: 1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepine CAS Name: 1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin IUPAC Name: 1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepine Traditional Name: 1-(bromomethyl)-7,8,9-trimethoxy-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin Formula: C15H21BrO3S MolecularWeight: 361.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C(=C2C(SC1)CBr)OC)OC)OC

Isomeric SMILES

CC1CC2=CC(=C(C(=C2C(SC1)CBr)OC)OC)OC

InChI

InChI=1S/C15H21BrO3S/c1-9-5-10-6-11(17-2)14(18-3)15(19-4)13(10)12(7-16)20-8-9/h6,9,12H,5,7-8H2,1-4H3