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

Systemtic Name: cyclopropyl-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Openeye Name: cyclopropyl-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone CAS Name: cyclopropyl-[9-hydroxy-7-(1-thianthrenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclopropyl-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Traditional Name: cyclopropyl-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Formula: C25H21NO3S2 MolecularWeight: 447.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6S5

Isomeric SMILES

C1CC1C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6S5

InChI

InChI=1S/C25H21NO3S2/c27-19-13-16(12-17-14-26(10-11-29-23(17)19)25(28)15-8-9-15)18-4-3-7-22-24(18)31-21-6-2-1-5-20(21)30-22/h1-7,12-13,15,27H,8-11,14H2