[(4R)-2,2-dimethyloxan-4-yl]-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

Systemtic Name: [(4R)-2,2-dimethyloxan-4-yl]-(9-oxidanyl-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Openeye Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone CAS Name: [(4R)-2,2-dimethyl-4-oxanyl]-[9-hydroxy-7-(1-thianthrenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: [(4R)-2,2-dimethyloxan-4-yl]-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Traditional Name: [(4R)-2,2-dimethyltetrahydropyran-4-yl]-(9-hydroxy-7-thianthren-1-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone Formula: C29H29NO4S2 MolecularWeight: 519.67486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6S5)C

Isomeric SMILES

CC1(C[C@@H](CCO1)C(=O)N2CCOC3=C(C2)C=C(C=C3O)C4=C5C(=CC=C4)SC6=CC=CC=C6S5)C

InChI

InChI=1S/C29H29NO4S2/c1-29(2)16-18(10-12-34-29)28(32)30-11-13-33-26-20(17-30)14-19(15-22(26)31)21-6-5-9-25-27(21)36-24-8-4-3-7-23(24)35-25/h3-9,14-15,18,31H,10-13,16-17H2,1-2H3/t18-/m1/s1