Chem
J-GLOBAL ID：200907083690211508   Nikkaji number：J2.365.261G

2-[[3-[(Methylsulfonyl)amino]-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-yl]thio]benzoic acid

2-[[3-[(メチルスルホニル)アミノ]-4-オキソ-3,4,5,6,7,8-ヘキサヒドロ[1]ベンゾチエノ[2,3-d]ピリミジン-2-イル]チオ]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： C18H17N3O5S3
Molecular formula furigana： C18-H17-N3-O5-S3
Molecular weight： 451.530
InChI： InChI=1S/C18H17N3O5S3/c1-29(25,26)20-21-16(22)14-10-6-2-4-8-12(10)27-15(14)19-18(21)28-13-9-5-3-7-11(13)17(23)24/h3,5,7,9,20H,2,4,6,8H2,1H3,(H,23,24)
InChI key： MSBGKPTYKNDJRE-UHFFFAOYSA-N
SMILES： CS(=O)(=O)Nn1c(Sc2ccccc2C(=O)O)nc2sc3CCCCc3c2c1=O
Systematic name  (3)：
  • 2-[[3-[(メチルスルホニル)アミノ]-4-オキソ-3,4,5,6,7,8-ヘキサヒドロ[1]ベンゾチエノ[2,3-d]ピリミジン-2-イル]チオ]安息香酸
  • 2-({4-メタンスルホンアミド-3-オキソ-8-チア-4,6-ジアザトリシクロ[7.4.0.02,7]トリデカ-1(9),2(7),5-トリエン-5-イル}スルファニル)安息香酸
  • 2-({4-methanesulfonamido-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)benzoic acid
Other name (1)：
  • 2-[[3-[(Methylsulfonyl)amino]-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-yl]thio]benzoic acid
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