Chem
J-GLOBAL ID：200907093637169520   Nikkaji number：J2.530.571J

[5-Bromo-7-(tosylamino)-3-heptynyl]malonic acid dimethyl ester

[5-ブロモ-7-(トシルアミノ)-3-ヘプチニル]マロン酸ジメチル
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： C19H24BrNO6S
Molecular formula furigana： C19-H24-BR-N-O6-S
Molecular weight： 474.370
InChI： InChI=1S/C19H24BrNO6S/c1-14-8-10-16(11-9-14)28(24,25)21-13-12-15(20)6-4-5-7-17(18(22)26-2)19(23)27-3/h8-11,15,17,21H,5,7,12-13H2,1-3H3
InChI key： KQTGTGIJOVAGPA-UHFFFAOYSA-N
SMILES： COC(=O)C(CCC#CC(Br)CCNS(=O)(=O)c1ccc(C)cc1)C(=O)OC
Systematic name  (4)：
  • [7-(トシルアミノ)-5-ブロモ-3-ヘプチニル]マロン酸ジメチル
  • [5-ブロモ-7-(トシルアミノ)-3-ヘプチニル]マロン酸ジメチル
  • 1,3-ジメチル 2-[5-ブロモ-7-(4-メチルベンゼンスルホンアミド)ヘプタ-3-イン-1-イル]プロパンジオアート
  • 1,3-dimethyl 2-[5-bromo-7-(4-methylbenzenesulfonamido)hept-3-yn-1-yl]propanedioate
Other name (2)：
  • [7-(Tosylamino)-5-bromo-3-heptynyl]malonic acid dimethyl ester
  • [5-Bromo-7-(tosylamino)-3-heptynyl]malonic acid dimethyl ester
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