(3Z)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-1-ethenyl-7-methoxy-1,4-dihydroisoquinolin-6-ol

Systemtic Name: (3Z)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-1-ethenyl-7-methoxy-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-vinyl-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-1-ethenyl-7-methoxy-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-1-ethenyl-7-methoxy-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3-diphenoxyphosphorylimino-7-methoxy-1-vinyl-1,4-dihydroisoquinolin-6-ol Formula: C33H28ClN2O5PS MolecularWeight: 631.077581

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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)C=C)CC5=C(C6=CC=CC=C6S5)Cl)O

Isomeric SMILES

COC1=C(C=C2C/C(=N/P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)/N(C(C2=C1)C=C)CC5=C(C6=CC=CC=C6S5)Cl)O

InChI

InChI=1S/C33H28ClN2O5PS/c1-3-27-26-20-29(39-2)28(37)18-22(26)19-32(36(27)21-31-33(34)25-16-10-11-17-30(25)43-31)35-42(38,40-23-12-6-4-7-13-23)41-24-14-8-5-9-15-24/h3-18,20,27,37H,1,19,21H2,2H3/b35-32-