1-(3-bromanyl-2,2-dimethyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine

Systemtic Name: 1-(3-bromanyl-2,2-dimethyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(3-bromo-2,2-dimethyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(3-bromo-2,2-dimethylpropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(3-bromo-2,2-dimethylpropyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(3-bromo-2,2-dimethyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C23H28BrFO2S MolecularWeight: 467.434623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F)CBr

Isomeric SMILES

CC(C)(CC1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F)CBr

InChI

InChI=1S/C23H28BrFO2S/c1-22(2,15-24)14-23(17-7-9-18(25)10-8-17)19-13-21(27-4)20(26-3)12-16(19)6-5-11-28-23/h7-10,12-13H,5-6,11,14-15H2,1-4H3