Chem
J-GLOBAL ID:200907002588234935   Nikkaji number:J638.682B

2-(Trifluoromethyl)-6-(4-methoxyphenyl)-7-(3,4,5-trimethoxybenzoyl)oxypyrrolo[2,1-d][1,5]benzothiazepine

2-(トリフルオロメチル)-6-(4-メトキシフェニル)-7-(3,4,5-トリメトキシベンゾイル)オキシピロロ[2,1-d][1,5]ベンゾチアゼピン
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: C30H24F3NO6S
Molecular formula furigana: C30-H24-F3-N-O6-S
Molecular weight: 583.580
InChI: InChI=1S/C30H24F3NO6S/c1-36-20-10-7-17(8-11-20)28-26(40-29(35)18-14-23(37-2)27(39-4)24(15-18)38-3)21-6-5-13-34(21)22-16-19(30(31,32)33)9-12-25(22)41-28/h5-16H,1-4H3
InChI key: KMJOFLMNVQIMCP-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C1=C(OC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccn2c2cc(ccc2S1)C(F)(F)F
Systematic name  (3):
  • 2-(トリフルオロメチル)-6-(4-メトキシフェニル)-7-(3,4,5-トリメトキシベンゾイル)オキシピロロ[2,1-d][1,5]ベンゾチアゼピン
  • 8-(4-メトキシフェニル)-13-(トリフルオロメチル)-9-チア-2-アザトリシクロ[8.4.0.02,6]テトラデカ-1(14),3,5,7,10,12-ヘキサエン-7-イル 3,4,5-トリメトキシベンゾアート
  • 8-(4-methoxyphenyl)-13-(trifluoromethyl)-9-thia-2-azatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaen-7-yl 3,4,5-trimethoxybenzoate
Other name (1):
  • 2-(Trifluoromethyl)-6-(4-methoxyphenyl)-7-(3,4,5-trimethoxybenzoyl)oxypyrrolo[2,1-d][1,5]benzothiazepine
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