Chem
J-GLOBAL ID：200907000676098518   Nikkaji number：J640.418I

AGN-191639

4-[2-(2,2,4,4-テトラメチル-3,4-ジヒドロ-2H-1-ベンゾチオピラン-7-イル)エチニル]安息香酸
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： C22H22O2S
Molecular formula furigana： C22-H22-O2-S
Molecular weight： 350.480
InChI： InChI=1S/C22H22O2S/c1-21(2)14-22(3,4)25-19-13-16(9-12-18(19)21)6-5-15-7-10-17(11-8-15)20(23)24/h7-13H,14H2,1-4H3,(H,23,24)
InChI key： OSWOYVZGHOUGKR-UHFFFAOYSA-N
SMILES： CC1(C)CC(C)(C)c2ccc(cc2S1)C#Cc1ccc(cc1)C(=O)O
Systematic name  (3)：
  • 4-[[(3,4-ジヒドロ-2,2,4,4-テトラメチル-2H-1-ベンゾチオピラン)-7-イル]エチニル]安息香酸
  • 4-[2-(2,2,4,4-テトラメチル-3,4-ジヒドロ-2H-1-ベンゾチオピラン-7-イル)エチニル]安息香酸
  • 4-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzothiopyran-7-yl)ethynyl]benzoic acid
Other name (1)：
  • AGN-191639
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