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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C28H26N2O4S2 MolecularWeight: 518.64704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC3=C2OCCN(C3)C(=O)CSC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COCC1OC2=CC(=CC3=C2OCCN(C3)C(=O)CSC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C28H26N2O4S2/c31-27(18-36-26-7-3-4-9-29-26)30-10-12-33-28-20(15-30)13-19(14-24(28)34-21-8-11-32-16-21)23-17-35-25-6-2-1-5-22(23)25/h1-7,9,13-14,17,21H,8,10-12,15-16,18H2