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

Systemtic Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1,4-dihydroisoquinolin-6-ol Formula: C21H22N3O8PS MolecularWeight: 507.453441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=NP(=O)(OC)OC)N(C(C2=C1)C3=CC=CS3)CC4=CC=C(O4)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C2C/C(=N/P(=O)(OC)OC)/N(C(C2=C1)C3=CC=CS3)CC4=CC=C(O4)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N3O8PS/c1-29-17-11-15-13(9-16(17)25)10-19(22-33(28,30-2)31-3)23(21(15)18-5-4-8-34-18)12-14-6-7-20(32-14)24(26)27/h4-9,11,21,25H,10,12H2,1-3H3/b22-19-