Chem
J-GLOBAL ID：200907082849191361   Nikkaji number：J640.417K

AGN-191636

6-[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]ピリジン-3-カルボン酸
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： C21H21NO2S
Molecular formula furigana： C21-H21-N-O2-S
Molecular weight： 351.460
InChI： InChI=1S/C21H21NO2S/c1-20(2)13-21(3,4)25-18-11-14(6-10-17(18)20)5-8-16-9-7-15(12-22-16)19(23)24/h6-7,9-12H,13H2,1-4H3,(H,23,24)
InChI key： OJSBFMMDNBCSGU-UHFFFAOYSA-N
SMILES： CC1(C)CC(C)(C)c2ccc(cc2S1)C#Cc1ccc(cn1)C(=O)O
Systematic name  (3)：
  • 6-[[(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]-3-ピリジンカルボン酸
  • 6-[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]ピリジン-3-カルボン酸
  • 6-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzothiopyran-7-yl)ethynyl]pyridine-3-carboxylic acid
Other name (1)：
  • AGN-191636
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