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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-ethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-ethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-ethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-[(2-ethoxyphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(2-ethoxybenzyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O3S/c1-3-30-22-10-6-4-8-18(22)16-28-12-13-31-25-20(17-28)14-19(15-23(25)29-2)26-27-21-9-5-7-11-24(21)32-26/h4-11,14-15H,3,12-13,16-17H2,1-2H3