7-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(2,4-dimethoxy-3-methyl-benzyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C26H26N2O4S/c1-16-22(30-2)9-8-17(24(16)31-3)14-28-10-11-32-25-19(15-28)12-18(13-21(25)29)26-27-20-6-4-5-7-23(20)33-26/h4-9,12-13,29H,10-11,14-15H2,1-3H3