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

Systemtic Name: 2-methoxy-1-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone Openeye Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methoxy-ethanone CAS Name: 1-[9-hydroxy-7-(1-thianthrenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone IUPAC Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methoxyethanone Traditional Name: 1-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methoxy-ethanone Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5S4

Isomeric SMILES

COCC(=O)N1CCOC2=C(C1)C=C(C=C2O)C3=C4C(=CC=C3)SC5=CC=CC=C5S4

InChI

InChI=1S/C24H21NO4S2/c1-28-14-22(27)25-9-10-29-23-16(13-25)11-15(12-18(23)26)17-5-4-8-21-24(17)31-20-7-3-2-6-19(20)30-21/h2-8,11-12,26H,9-10,13-14H2,1H3