4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-7-(4-phenoxathiinyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H22N2O6S2 MolecularWeight: 522.59268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6O5

InChI

InChI=1S/C26H22N2O6S2/c1-15-26(16(2)34-27-15)36(30,31)28-10-11-32-24-18(14-28)12-17(13-20(24)29)19-6-5-9-23-25(19)33-21-7-3-4-8-22(21)35-23/h3-9,12-13,29H,10-11,14H2,1-2H3