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

Systemtic Name: 1-(4-chloranylbutan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Openeye Name: 1-(3-chloro-1-methyl-propyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine CAS Name: 1-(4-chlorobutan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin IUPAC Name: 1-(4-chlorobutan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepine Traditional Name: 1-(3-chloro-1-methyl-propyl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzothiepin Formula: C17H25ClO2S MolecularWeight: 328.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClO2S/c1-12(7-8-18)17(2)14-11-16(20-4)15(19-3)10-13(14)6-5-9-21-17/h10-12H,5-9H2,1-4H3