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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

InChI

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