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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CSC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CSC=C3)C4=NC5=CC=CC=C5S4

InChI

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