3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]propan-1-ol

Systemtic Name: 3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]propan-1-ol Openeye Name: 3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2,5-dihydropyridin-4-yl]propan-1-ol CAS Name: 3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitro-2-furanyl)methyl]-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]-1-propanol IUPAC Name: 3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2,5-dihydropyridin-4-yl]propan-1-ol Traditional Name: 3-[(6Z)-6-diphenoxyphosphorylimino-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2,5-dihydropyridin-4-yl]propan-1-ol Formula: C29H28N3O7PS MolecularWeight: 593.587281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N(C1=NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CC4=CC=C(O4)[N+](=O)[O-])C5=CC=CS5)CCCO

Isomeric SMILES

C\1C(=CC(N(/C1=N\P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)CC4=CC=C(O4)[N+](=O)[O-])C5=CC=CS5)CCCO

InChI

InChI=1S/C29H28N3O7PS/c33-17-7-9-22-19-26(27-14-8-18-41-27)31(21-25-15-16-29(37-25)32(34)35)28(20-22)30-40(36,38-23-10-3-1-4-11-23)39-24-12-5-2-6-13-24/h1-6,8,10-16,18-19,26,33H,7,9,17,20-21H2/b30-28-