1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H24N2O2S/c1-2-3-9-17-14-22(13-16-8-4-5-10-18(16)24-17)20(23)15-25-19-11-6-7-12-21-19/h4-8,10-12,17H,2-3,9,13-15H2,1H3/t17-/m0/s1