[(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]oxycarbonyloxymethyl 4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [(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]oxycarbonyloxymethyl 4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoate Openeye Name: [(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]carbonyloxymethyl 4-(2-dimethylaminoethylamino)-4-oxo-butanoate CAS Name: 4-(2-dimethylaminoethylamino)-4-oxobutanoic acid [[(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]methyl ester IUPAC Name: [(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]oxycarbonyloxymethyl 4-(2-dimethylaminoethylamino)-4-oxobutanoate Traditional Name: 4-(2-dimethylaminoethylamino)-4-keto-butyric acid [(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]carbonyloxymethyl ester Formula: C37H41F3N6O8S MolecularWeight: 786.81705

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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)OCOC(=O)CCC(=O)NCCN(C)C)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)OCOC(=O)CCC(=O)NCCN(C)C)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C37H41F3N6O8S/c1-25(55-29-19-50-35(51-20-29)7-5-4-6-27-9-8-26(18-41)16-31(27)39)37(21-46-23-42-22-44-46,30-11-10-28(38)17-32(30)40)54-36(49)53-24-52-34(48)13-12-33(47)43-14-15-45(2)3/h4-11,16-17,22-23,25,29,35H,12-15,19-21,24H2,1-3H3,(H,43,47)/b6-4+,7-5+/t25-,29?,35?,37-/m1/s1