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

Systemtic Name: cyclobutyl-(9-oxidanyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Openeye Name: cyclobutyl-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone CAS Name: cyclobutyl-[9-hydroxy-7-(4-phenoxathiinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclobutyl-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Traditional Name: cyclobutyl-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

Isomeric SMILES

C1CC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

InChI

InChI=1S/C26H23NO4S/c28-20-14-17(13-18-15-27(11-12-30-24(18)20)26(29)16-5-3-6-16)19-7-4-10-23-25(19)31-21-8-1-2-9-22(21)32-23/h1-2,4,7-10,13-14,16,28H,3,5-6,11-12,15H2