1-(4-chloranylbutan-2-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine

Systemtic Name: 1-(4-chloranylbutan-2-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(3-chloro-1-methyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(4-chlorobutan-2-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(4-chlorobutan-2-yl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(3-chloro-1-methyl-propyl)-1-(4-fluorophenyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzothiepin Formula: C22H26ClFO2S MolecularWeight: 408.957043

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(CCCl)C1(C2=CC(=C(C=C2CCCS1)OC)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26ClFO2S/c1-15(10-11-23)22(17-6-8-18(24)9-7-17)19-14-21(26-3)20(25-2)13-16(19)5-4-12-27-22/h6-9,13-15H,4-5,10-12H2,1-3H3