Chem
J-GLOBAL ID:201907016689005773
Nikkaji number:J3.739.035F
tert-butyl (2'S,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(5-iodothiophen-2-yl)-2-oxo-1H-spiro[indole-3,3'-pyrrolidine]-5'-carboxylate
tert-ブチル(2'S,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(5-ヨードチオフェン-2-イル)-2-オキソ-1H-スピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
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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:
C24 H22 BrIN2 O3 S2
Molecular formula furigana:
C24-H22-BR-I-N2-O3-S2
Molecular weight:
657.380
InChI:
InChI=1S/C24H22BrIN2O3S2/c1-23(2,3)31-21(29)19-18(14-8-10-16(25)32-14)24(20(28-19)15-9-11-17(26)33-15)12-6-4-5-7-13(12)27-22(24)30/h4-11,18-20,28H,1-3H3,(H,27,30)/t18-,19+,20-,24-/m1/s1
InChI key:
LVFNDCGZLDIGMV-ZBNTXBBCSA-N
SMILES:
C1(=O)[C@]2(c3ccccc3N1)[C@@H]([C@H](N[C@@H]2c1sc(cc1)I)C(=O)OC(C)(C)C)c1sc(cc1)Br
Systematic name (3):
(2′S,3S,3′S,5′S)-2′-(tert-ブトキシカルボニル)-3′-(5-ブロモ-2-チエニル)-5′-(5-ヨード-2-チエニル)スピロ[インドリン-3,4′-ピロリジン]-2-オン
tert-ブチル(2'S,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(5-ヨードチオフェン-2-イル)-2-オキソ-1,2-ジヒドロスピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
tert-butyl (2'S,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(5-iodothiophen-2-yl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
Other name (2):
tert-ブチル(2'S,3S,4'S,5'S)-4'-(5-ブロモチオフェン-2-イル)-2'-(5-ヨードチオフェン-2-イル)-2-オキソ-1H-スピロ[インドール-3,3'-ピロリジン]-5'-カルボキシラート
tert-butyl (2'S,3S,4'S,5'S)-4'-(5-bromothiophen-2-yl)-2'-(5-iodothiophen-2-yl)-2-oxo-1H-spiro[indole-3,3'-pyrrolidine]-5'-carboxylate
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