Chem
J-GLOBAL ID：200907008892851469   Nikkaji number：J1.559.081E

Trifluoroacetic acid 1-phenyl-4-(1,3-benzodioxole-5-ylmethyl)-6-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)-6-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/c1-31-18-8-10-23-20(14-18)29(15-17-7-9-21-22(13-17)33-16-32-21)11-12-35(23,19-5-3-2-4-6-19)34-24(30)25(26,27)28/h2-10,13-14H,11-12,15-16H2,1H3
InChI key： OHDWUGIMLNLPFY-UHFFFAOYSA-N
SMILES： COc1ccc2c(c1)N(Cc1ccc3OCOc3c1)CCS2(OC(=O)C(F)(F)F)c1ccccc1
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)-6-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]-6-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]-6-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)-6-methoxy-1,2,3,4-tetrahydro-1-thia(IV)-4-azanaphthalene-1-yl ester
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