2-(3-bromanyl-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone Formula: C21H28BrNOS MolecularWeight: 422.42212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)SC=C2

Isomeric SMILES

CCC1C2=C(CCN1C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)SC=C2

InChI

InChI=1S/C21H28BrNOS/c1-2-17-16-4-6-25-18(16)3-5-23(17)19(24)12-20-8-14-7-15(9-20)11-21(22,10-14)13-20/h4,6,14-15,17H,2-3,5,7-13H2,1H3