2-(3-bromanylphenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(3-bromophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3-bromophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3-bromophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(3-bromophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C18H18BrNO2S MolecularWeight: 392.31002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrNO2S/c1-13-9-10-20(16-7-2-3-8-17(16)23-13)18(21)12-22-15-6-4-5-14(19)11-15/h2-8,11,13H,9-10,12H2,1H3