Chem
J-GLOBAL ID：201807017184555980   Nikkaji number：J3.721.539B

3-(1,1,7,7-Tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene-4-yl)-N-(tert-butoxycarbonyl)-1-thia(IV)thiophene-1-imine

tert-ブチル N-[3-(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-1λ4-チオフェン-1-イリデン]カルバマート
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： C33H49NO2S
Molecular formula furigana： C33-H49-N-O2-S
Molecular weight： 523.820
InChI： InChI=1S/C33H49NO2S/c1-12-32(13-2)20-30(8,9)26-23(32)18-24-27(31(10,11)21-33(24,14-3)15-4)25(26)22-16-17-37(19-22)34-28(35)36-29(5,6)7/h16-19H,12-15,20-21H2,1-11H3
InChI key： DUHSTNODBUJLDC-UHFFFAOYSA-N
SMILES： CCC1(CC)CC(C)(C)c2c1cc1c(c2C2=CS(=NC(=O)OC(C)(C)C)C=C2)C(C)(C)CC1(CC)CC
Systematic name  (3)：
  • 3-(1,1,7,7-テトラエチル-1,2,3,5,6,7-ヘキサヒドロ-3,3,5,5-テトラメチル-s-インダセン-4-イル)-N-(tert-ブトキシカルボニル)-1-チア(IV)チオフェン-1-イミン
  • tert-ブチル N-[3-(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-1λ4-チオフェン-1-イリデン]カルバマート
  • tert-butyl N-[3-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1λ4-thiophen-1-ylidene]carbamate
Other name (1)：
  • 3-(1,1,7,7-Tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene-4-yl)-N-(tert-butoxycarbonyl)-1-thia(IV)thiophene-1-imine
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