Chem
J-GLOBAL ID:200907050110659374   Nikkaji number:J541.116E

4-[4-(4-Cyanophenyl)-9-[4-cyano-α-[(tert-butyldimethylsilyl)oxy]benzyl]-1,3-dioxa-6-thia-9-azaspiro[4.4]non-7-en-2-yl]benzonitrile

4-[4-(4-シアノフェニル)-9-[4-シアノ-α-[(tert-ブチルジメチルシリル)オキシ]ベンジル]-1,3-ジオキサ-6-チア-9-アザスピロ[4.4]ノナ-7-エン-2-イル]ベンゾニトリル
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: C33H32N4O3SSi
Molecular formula furigana: C33-H32-N4-O3-S-SI
Molecular weight: 592.790
InChI: InChI=1S/C33H32N4O3SSi/c1-32(2,3)42(4,5)40-30(27-14-8-24(21-35)9-15-27)37-18-19-41-33(37)29(26-12-6-23(20-34)7-13-26)38-31(39-33)28-16-10-25(22-36)11-17-28/h6-19,29-31H,1-5H3
InChI key: NZODISGPGCKBRI-UHFFFAOYSA-N
SMILES: CC(C)(C)[Si](C)(C)OC(N1C=CSC21OC(OC2c1ccc(cc1)C#N)c1ccc(cc1)C#N)c1ccc(cc1)C#N
Systematic name  (3):
  • 4-[4-(4-シアノフェニル)-9-[4-シアノ-α-[(tert-ブチルジメチルシリル)オキシ]ベンジル]-1,3-ジオキサ-6-チア-9-アザスピロ[4.4]ノナ-7-エン-2-イル]ベンゾニトリル
  • 4-(9-{[(tert-ブチルジメチルシリル)オキシ](4-シアノフェニル)メチル}-2-(4-シアノフェニル)-1,3-ジオキサ-6-チア-9-アザスピロ[4.4]ノナ-7-エン-4-イル)ベンゾニトリル
  • 4-(9-{[(tert-butyldimethylsilyl)oxy](4-cyanophenyl)methyl}-2-(4-cyanophenyl)-1,3-dioxa-6-thia-9-azaspiro[4.4]non-7-en-4-yl)benzonitrile
Other name (1):
  • 4-[4-(4-Cyanophenyl)-9-[4-cyano-α-[(tert-butyldimethylsilyl)oxy]benzyl]-1,3-dioxa-6-thia-9-azaspiro[4.4]non-7-en-2-yl]benzonitrile
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