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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO4S/c1-2-3-11-24(29)27-12-13-30-25-18(16-27)14-17(15-20(25)28)19-7-6-10-23-26(19)31-21-8-4-5-9-22(21)32-23/h2,4-10,14-15,28H,1,3,11-13,16H2