(9-oxidanyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-pyridin-2-yl-methanone

Systemtic Name: (9-oxidanyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-pyridin-2-yl-methanone Openeye Name: (9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridyl)methanone CAS Name: [9-hydroxy-7-(4-phenoxathiinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyridinyl)methanone IUPAC Name: (9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-pyridin-2-ylmethanone Traditional Name: (9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyridyl)methanone Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)C3=CC=CC=N3)C=C(C=C2O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

Isomeric SMILES

C1COC2=C(CN1C(=O)C3=CC=CC=N3)C=C(C=C2O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

InChI

InChI=1S/C27H20N2O4S/c30-21-15-17(19-6-5-10-24-26(19)33-22-8-1-2-9-23(22)34-24)14-18-16-29(12-13-32-25(18)21)27(31)20-7-3-4-11-28-20/h1-11,14-15,30H,12-13,16H2