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

Systemtic Name: (3Z)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-3-dimethoxyphosphorylimino-1-ethenyl-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3-dimethoxyphosphorylimino-1-vinyl-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-dimethoxyphosphorylimino-1-ethenyl-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-dimethoxyphosphorylimino-1-ethenyl-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3-dimethoxyphosphorylimino-1-vinyl-1,4-dihydroisoquinolin-7-ol Formula: C22H22ClN2O4PS MolecularWeight: 476.912841

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC2=C(C=C(C=C2)O)C(N1CC3=C(C4=CC=CC=C4S3)Cl)C=C)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC2=C(C=C(C=C2)O)C(N1CC3=C(C4=CC=CC=C4S3)Cl)C=C)OC

InChI

InChI=1S/C22H22ClN2O4PS/c1-4-18-17-12-15(26)10-9-14(17)11-21(24-30(27,28-2)29-3)25(18)13-20-22(23)16-7-5-6-8-19(16)31-20/h4-10,12,18,26H,1,11,13H2,2-3H3/b24-21-