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

Systemtic Name: 3-[(6Z)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]propan-1-ol Openeye Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-(2-thienyl)-2,5-dihydropyridin-4-yl]propan-1-ol CAS Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]-1-propanol IUPAC Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]propan-1-ol Traditional Name: 3-[(6Z)-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-dimethoxyphosphorylimino-2-(2-thienyl)-2,5-dihydropyridin-4-yl]propan-1-ol Formula: C22H26BrN2O6PS MolecularWeight: 557.394401

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC(=CC(N1CC2=CC3=C(C=C2Br)OCO3)C4=CC=CS4)CCCO)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC(=CC(N1CC2=CC3=C(C=C2Br)OCO3)C4=CC=CS4)CCCO)OC

InChI

InChI=1S/C22H26BrN2O6PS/c1-28-32(27,29-2)24-22-10-15(5-3-7-26)9-18(21-6-4-8-33-21)25(22)13-16-11-19-20(12-17(16)23)31-14-30-19/h4,6,8-9,11-12,18,26H,3,5,7,10,13-14H2,1-2H3/b24-22-