1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Openeye Name: 1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(1-adamantyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C21H26O3S/c22-20(21-10-14-6-15(11-21)8-16(7-14)12-21)13-25-17-2-3-18-19(9-17)24-5-1-4-23-18/h2-3,9,14-16H,1,4-8,10-13H2