Chem
J-GLOBAL ID：200907061498336212   Nikkaji number：J1.559.082C

Trifluoroacetic acid 1-phenyl-4-(1,3-benzodioxole-5-ylmethyl)-8-methoxy-1,2,3,4-tetrahydro-1-thia(IV)-4-azanaphthalene-1-yl ester

トリフルオロ酢酸1-フェニル-4-(1,3-ベンゾジオキソール-5-イルメチル)-8-メトキシ-1,2,3,4-テトラヒドロ-1-チア(IV)-4-アザナフタレン-1-イル
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： C25H22F3NO5S
Molecular formula furigana： C25-H22-F3-N-O5-S
Molecular weight： 505.510
InChI： InChI=1S/C25H22F3NO5S/c1-31-21-9-5-8-19-23(21)35(18-6-3-2-4-7-18,34-24(30)25(26,27)28)13-12-29(19)15-17-10-11-20-22(14-17)33-16-32-20/h2-11,14H,12-13,15-16H2,1H3
InChI key： GDSPJPKOXLJOGL-UHFFFAOYSA-N
SMILES： COc1cccc2N(Cc3ccc4OCOc4c3)CCS(OC(=O)C(F)(F)F)(c3ccccc3)c12
Systematic name  (3)：
  • トリフルオロ酢酸1-フェニル-4-(1,3-ベンゾジオキソール-5-イルメチル)-8-メトキシ-1,2,3,4-テトラヒドロ-1-チア(IV)-4-アザナフタレン-1-イル
  • 4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-8-メトキシ-1-フェニル-3,4-ジヒドロ-2H-1λ4,4-ベンゾチアジン-1-イル 2,2,2-トリフルオロアセタート
  • 4-[(2H-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1-phenyl-3,4-dihydro-2H-1λ4,4-benzothiazin-1-yl 2,2,2-trifluoroacetate
Other name (1)：
  • Trifluoroacetic acid 1-phenyl-4-(1,3-benzodioxole-5-ylmethyl)-8-methoxy-1,2,3,4-tetrahydro-1-thia(IV)-4-azanaphthalene-1-yl ester
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