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

Systemtic Name: 1-[7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]oxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-pyridylthio)ethanone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)C(=O)CSC5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)O[C@H]4CCOC4)OCCN(C3)C(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C27H28N2O4S/c1-19-6-2-3-7-23(19)20-14-21-16-29(26(30)18-34-25-8-4-5-10-28-25)11-13-32-27(21)24(15-20)33-22-9-12-31-17-22/h2-8,10,14-15,22H,9,11-13,16-18H2,1H3/t22-/m0/s1