5-[[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]oxycarbonyloxymethoxy]-5-oxidanylidene-pentane-1-sulfonic acid

Systemtic Name: 5-[[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]oxycarbonyloxymethoxy]-5-oxidanylidene-pentane-1-sulfonic acid Openeye Name: 5-[[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]carbonyloxymethoxy]-5-oxo-pentane-1-sulfonic acid CAS Name: 5-[[[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]methoxy]-5-oxo-1-pentanesulfonic acid IUPAC Name: 5-[[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]oxycarbonyloxymethoxy]-5-oxopentane-1-sulfonic acid Traditional Name: 5-[[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]carbonyloxymethoxy]-5-keto-pentane-1-sulfonic acid Formula: C34H35F3N4O10S2 MolecularWeight: 780.78771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)OCOC(=O)CCCCS(=O)(=O)O)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C34H35F3N4O10S2/c1-23(52-27-17-47-32(48-18-27)8-3-2-6-25-10-9-24(16-38)14-29(25)36)34(19-41-21-39-20-40-41,28-12-11-26(35)15-30(28)37)51-33(43)50-22-49-31(42)7-4-5-13-53(44,45)46/h2-3,6,8-12,14-15,20-21,23,27,32H,4-5,7,13,17-19,22H2,1H3,(H,44,45,46)/b6-2+,8-3+