Chem
J-GLOBAL ID:200907050205873519   Nikkaji number:J285.166K

6-Fluoro-2-isopropyl-2,3-dihydro-3-thioxo-4H-1,4-benzoxazine-4-acetic acid

6-フルオロ-2-イソプロピル-2,3-ジヒドロ-3-チオキソ-4H-1,4-ベンゾオキサジン-4-酢酸
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: C13H14FNO3S
Molecular formula furigana: C13-H14-F-N-O3-S
Molecular weight: 283.320
InChI: InChI=1S/C13H14FNO3S/c1-7(2)12-13(19)15(6-11(16)17)9-5-8(14)3-4-10(9)18-12/h3-5,7,12H,6H2,1-2H3,(H,16,17)
InChI key: NOBVTBGWAPFIBN-UHFFFAOYSA-N
SMILES: CC(C)C1Oc2ccc(F)cc2N(CC(=O)O)C1=S
Systematic name  (3):
  • 6-フルオロ-2-イソプロピル-2,3-ジヒドロ-3-チオキソ-4H-1,4-ベンゾオキサジン-4-酢酸
  • 2-[6-フルオロ-2-(プロパン-2-イル)-3-スルファニリデン-3,4-ジヒドロ-2H-1,4-ベンゾオキサジン-4-イル]酢酸
  • 2-[6-fluoro-2-(propan-2-yl)-3-sulfanylidene-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetic acid
Other name (1):
  • 6-Fluoro-2-isopropyl-2,3-dihydro-3-thioxo-4H-1,4-benzoxazine-4-acetic acid
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