(3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-(2-thienyl)-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-dimethoxyphosphorylimino-1-(2-thienyl)-1,4-dihydroisoquinolin-7-ol Formula: C23H22BrN2O6PS MolecularWeight: 565.373341

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC2=C(C=C(C=C2)O)C(N1CC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC2=C(C=C(C=C2)O)C(N1CC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5)OC

InChI

InChI=1S/C23H22BrN2O6PS/c1-29-33(28,30-2)25-22-9-14-5-6-16(27)10-17(14)23(21-4-3-7-34-21)26(22)12-15-8-19-20(11-18(15)24)32-13-31-19/h3-8,10-11,23,27H,9,12-13H2,1-2H3/b25-22-