2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C20H22BrNO3S MolecularWeight: 436.36258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C20H22BrNO3S/c1-13-8-9-22(16-6-4-5-7-19(16)26-13)20(23)11-14-10-17(24-2)18(25-3)12-15(14)21/h4-7,10,12-13H,8-9,11H2,1-3H3