Chem
J-GLOBAL ID:200907079493164410   Nikkaji number:J1.021.703B

4-(3-Bromophenyl)-8-fluorospiro[1,5-benzothiazepine-2(5H),3′(2′H)-[1H]indole]-2′-one

4-(3-ブロモフェニル)-8-フルオロスピロ[1,5-ベンゾチアゼピン-2(5H),3′(2′H)-[1H]インドール]-2′-オン
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: C22H14BrFN2OS
Molecular formula furigana: C22-H14-BR-F-N2-O-S
Molecular weight: 453.330
InChI: InChI=1S/C22H14BrFN2OS/c23-14-5-3-4-13(10-14)19-12-22(16-6-1-2-7-17(16)26-21(22)27)28-20-11-15(24)8-9-18(20)25-19/h1-12,25H,(H,26,27)
InChI key: RAAQQEWGFNHQSS-UHFFFAOYSA-N
SMILES: Fc1ccc2NC(=CC3(Sc2c1)C(=O)Nc1ccccc31)c1cccc(Br)c1
Systematic name  (3):
  • 4-(3-ブロモフェニル)-8-フルオロスピロ[1,5-ベンゾチアゼピン-2(5H),3′(2′H)-[1H]インドール]-2′-オン
  • 4-(3-ブロモフェニル)-8-フルオロ-1',2'-ジヒドロ-5H-スピロ[1,5-ベンゾチアゼピン-2,3'-インドール]-2'-オン
  • 4-(3-bromophenyl)-8-fluoro-1',2'-dihydro-5H-spiro[1,5-benzothiazepine-2,3'-indol]-2'-one
Other name (1):
  • 4-(3-Bromophenyl)-8-fluorospiro[1,5-benzothiazepine-2(5H),3′(2′H)-[1H]indole]-2′-one
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