4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H20N2O2S2 MolecularWeight: 408.5364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C22H20N2O2S2/c1-25-18-12-15(19-7-4-10-27-19)11-16-13-24(8-9-26-22(16)18)14-21-23-17-5-2-3-6-20(17)28-21/h2-7,10-12H,8-9,13-14H2,1H3