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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxybenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C25H24N2O4S/c1-29-19-9-16(10-20(13-19)30-2)14-27-7-8-31-24-18(15-27)11-17(12-22(24)28)25-26-21-5-3-4-6-23(21)32-25/h3-6,9-13,28H,7-8,14-15H2,1-2H3