3-[(6Z)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]propan-1-ol

Systemtic Name: 3-[(6Z)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]propan-1-ol Openeye Name: 3-[(6Z)-1-[(3-chlorobenzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]propan-1-ol CAS Name: 3-[(6Z)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]-1-propanol IUPAC Name: 3-[(6Z)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]propan-1-ol Traditional Name: 3-[(6Z)-1-[(3-chlorobenzothiophen-2-yl)methyl]-2-cyclopropyl-6-dimethoxyphosphorylimino-2,5-dihydropyridin-4-yl]propan-1-ol Formula: C22H28ClN2O4PS MolecularWeight: 482.960481

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC(=CC(N1CC2=C(C3=CC=CC=C3S2)Cl)C4CC4)CCCO)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC(=CC(N1CC2=C(C3=CC=CC=C3S2)Cl)C4CC4)CCCO)OC

InChI

InChI=1S/C22H28ClN2O4PS/c1-28-30(27,29-2)24-21-13-15(6-5-11-26)12-18(16-9-10-16)25(21)14-20-22(23)17-7-3-4-8-19(17)31-20/h3-4,7-8,12,16,18,26H,5-6,9-11,13-14H2,1-2H3/b24-21-