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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(2-allyloxyphenyl)methyl]-7-(1,3-benzothiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-(2-allyloxybenzyl)-7-(1,3-benzothiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H24N2O3S/c1-2-12-30-23-9-5-3-7-18(23)16-28-11-13-31-25-20(17-28)14-19(15-22(25)29)26-27-21-8-4-6-10-24(21)32-26/h2-10,14-15,29H,1,11-13,16-17H2