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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(3,5-dimethoxybenzyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4)OC

InChI

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