1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-thienyl)ethanone Formula: C30H26N2O3S2 MolecularWeight: 526.66904

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CC3=CC=CS3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1C(=O)CC3=CC=CS3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C30H26N2O3S2/c33-29(18-24-7-5-15-36-24)32-12-14-35-30-22(19-32)16-21(26-20-37-28-9-2-1-8-25(26)28)17-27(30)34-13-10-23-6-3-4-11-31-23/h1-9,11,15-17,20H,10,12-14,18-19H2