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]oxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)ethanoate

Systemtic Name: 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]oxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)ethanoate Openeye Name: 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]carbonyloxyethyl 2-(1-methyl-4-piperidyl)acetate CAS Name: 2-(1-methyl-4-piperidinyl)acetic acid 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]ethyl ester IUPAC Name: 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]oxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate Traditional Name: 2-(1-methyl-4-piperidyl)acetic acid 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]carbonyloxyethyl ester Formula: C38H42F3N5O7S MolecularWeight: 769.82959

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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)CC3CCN(CC3)C)SC4COC(OC4)C=CC=CC5=C(C=C(C=C5)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)CC3CCN(CC3)C)SC4COC(OC4)/C=C/C=C/C5=C(C=C(C=C5)C#N)F

InChI

InChI=1S/C38H42F3N5O7S/c1-25(54-31-20-49-36(50-21-31)7-5-4-6-29-9-8-28(19-42)16-33(29)40)38(22-46-24-43-23-44-46,32-11-10-30(39)18-34(32)41)53-37(48)52-26(2)51-35(47)17-27-12-14-45(3)15-13-27/h4-11,16,18,23-27,31,36H,12-15,17,20-22H2,1-3H3/b6-4+,7-5+/t25-,26?,31?,36?,38-/m1/s1