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

Systemtic Name: (3Z)-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-(2-thienyl)-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-(2-thienyl)-1,4-dihydroisoquinolin-6-ol Formula: C34H28BrN2O7PS MolecularWeight: 719.538081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N(C(C2=C1)C5=CC=CS5)CC6=CC7=C(C=C6Br)OCO7)O

Isomeric SMILES

COC1=C(C=C2C/C(=N/P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)/N(C(C2=C1)C5=CC=CS5)CC6=CC7=C(C=C6Br)OCO7)O

InChI

InChI=1S/C34H28BrN2O7PS/c1-40-29-18-26-22(15-28(29)38)17-33(36-45(39,43-24-9-4-2-5-10-24)44-25-11-6-3-7-12-25)37(34(26)32-13-8-14-46-32)20-23-16-30-31(19-27(23)35)42-21-41-30/h2-16,18-19,34,38H,17,20-21H2,1H3/b36-33-