2-[2-[1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[2-[(1E,3E)-4-(4-cyano-2-fluoranyl-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[2-[(1E,3E)-4-(4-cyano-2-fluoranyl-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[1-[(1R,2R)-2-[[2-[(1E,3E)-4-(4-cyano-2-fluoro-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxyethoxy]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[1-[[(2R,3R)-3-[[2-[(1E,3E)-4-(4-cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxy-oxomethoxy]ethoxy]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[1-[(2R,3R)-3-[[2-[(1E,3E)-4-(4-cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[1-[(1R,2R)-2-[[2-[(1E,3E)-4-(4-cyano-2-fluoro-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxyethoxy]-2-keto-ethoxy]acetic acid Formula: C34H33F3N4O10S MolecularWeight: 746.70683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)OC(C)OC(=O)COCC(=O)O)SC3COC(OC3)C=CC=CC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)OC(C)OC(=O)COCC(=O)O)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C34H33F3N4O10S/c1-21(52-26-14-47-32(48-15-26)6-4-3-5-24-8-7-23(13-38)11-28(24)36)34(18-41-20-39-19-40-41,27-10-9-25(35)12-29(27)37)51-33(45)50-22(2)49-31(44)17-46-16-30(42)43/h3-12,19-22,26,32H,14-18H2,1-2H3,(H,42,43)/b5-3+,6-4+/t21-,22?,26?,32?,34-/m1/s1