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

Systemtic Name: 1-[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C24H24N2O4S/c1-28-20-7-5-6-17(13-20)18-12-19-15-26(10-11-30-24(19)21(14-18)29-2)23(27)16-31-22-8-3-4-9-25-22/h3-9,12-14H,10-11,15-16H2,1-2H3