2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C17H15BrFNO2S MolecularWeight: 396.273903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFNO2S/c18-12-6-7-15(13(19)10-12)22-11-17(21)20-8-3-9-23-16-5-2-1-4-14(16)20/h1-2,4-7,10H,3,8-9,11H2