2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chloranyl-phenol

Systemtic Name: 2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chloranyl-phenol Openeye Name: 2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chloro-phenol CAS Name: 2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chlorophenol IUPAC Name: 2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chlorophenol Traditional Name: 2-[[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-4-chloro-phenol Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=C(C=CC(=C3)Cl)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=C(C=CC(=C3)Cl)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21ClN2O3S/c1-29-21-12-15(24-26-19-4-2-3-5-22(19)31-24)10-17-14-27(8-9-30-23(17)21)13-16-11-18(25)6-7-20(16)28/h2-7,10-12,28H,8-9,13-14H2,1H3