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

Systemtic Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-oxidanyl-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 2-(3,5-dimethylisoxazol-4-yl)-1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-isoxazolyl)-1-[9-hydroxy-7-(4-phenoxathiinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Traditional Name: 2-(3,5-dimethylisoxazol-4-yl)-1-(9-hydroxy-7-phenoxathiin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O5S/c1-16-21(17(2)35-29-16)14-26(32)30-10-11-33-27-19(15-30)12-18(13-22(27)31)20-6-5-9-25-28(20)34-23-7-3-4-8-24(23)36-25/h3-9,12-13,31H,10-11,14-15H2,1-2H3