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

Systemtic Name: 1-(9-oxidanyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone CAS Name: 1-[9-hydroxy-7-(4-phenoxathiinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5O4

Isomeric SMILES

CC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5O4

InChI

InChI=1S/C23H19NO4S/c1-14(25)24-9-10-27-22-16(13-24)11-15(12-18(22)26)17-5-4-8-21-23(17)28-19-6-2-3-7-20(19)29-21/h2-8,11-12,26H,9-10,13H2,1H3