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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CC3=CSC=C3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1C(=O)CC3=CSC=C3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

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