Chem
J-GLOBAL ID：201107094621855436   Nikkaji number：J2.968.981D

[3-(4-Methoxybenzyloxy)propyl][2-[4-[5-(1-methyl-7,7,8,8,9,9-hexafluoro-4,5,8,9-tetrahydro-2-thia-6-oxa-7H-cyclopenta[e]azulene-3-yl)thiophene-2-yl]phenoxy]ethyl]carbamic acid tert-butyl ester

[3-(4-メトキシベンジルオキシ)プロピル][2-[4-[5-(1-メチル-7,7,8,8,9,9-ヘキサフルオロ-4,5,8,9-テトラヒドロ-2-チア-6-オキサ-7H-シクロペンタ[e]アズレン-3-イル)チオフェン-2-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H41F6NO6S2
Molecular formula furigana： C40-H41-F6-N-O6-S2
Molecular weight： 809.880
InChI： InChI=1S/C40H41F6NO6S2/c1-24-32-29(17-21-52-35-33(32)38(41,42)40(45,46)39(35,43)44)34(54-24)31-16-15-30(55-31)26-9-13-28(14-10-26)51-22-19-47(36(48)53-37(2,3)4)18-6-20-50-23-25-7-11-27(49-5)12-8-25/h7-16H,6,17-23H2,1-5H3
InChI key： URSQUPMDDWODAO-UHFFFAOYSA-N
SMILES： COc1ccc(COCCCN(CCOc2ccc(cc2)c2ccc(s2)c2sc(C)c3C4=C(OCCc23)C(F)(F)C(F)(F)C4(F)F)C(=O)OC(C)(C)C)cc1
Systematic name  (3)：
  • [3-(4-メトキシベンジルオキシ)プロピル][2-[4-[5-(1-メチル-7,7,8,8,9,9-ヘキサフルオロ-4,5,8,9-テトラヒドロ-2-チア-6-オキサ-7H-シクロペンタ[e]アズレン-3-イル)チオフェン-2-イル]フェノキシ]エチル]カルバミド酸tert-ブチル
  • tert-ブチル N-{2-[4-(5-{11,11,12,12,13,13-ヘキサフルオロ-3-メチル-9-オキサ-4-チアトリシクロ[8.3.0.02,6]トリデカ-1(10),2,5-トリエン-5-イル}チオフェン-2-イル)フェノキシ]エチル}-N-{3-[(4-メトキシフェニル)メトキシ]プロピル}カルバマート
  • tert-butyl N-{2-[4-(5-{11,11,12,12,13,13-hexafluoro-3-methyl-9-oxa-4-thiatricyclo[8.3.0.02,6]trideca-1(10),2,5-trien-5-yl}thiophen-2-yl)phenoxy]ethyl}-N-{3-[(4-methoxyphenyl)methoxy]propyl}carbamate
Other name (1)：
  • [3-(4-Methoxybenzyloxy)propyl][2-[4-[5-(1-methyl-7,7,8,8,9,9-hexafluoro-4,5,8,9-tetrahydro-2-thia-6-oxa-7H-cyclopenta[e]azulene-3-yl)thiophene-2-yl]phenoxy]ethyl]carbamic acid tert-butyl ester
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