Chem
J-GLOBAL ID:200907016996841557   Nikkaji number:J273.054E

6,6aα,7,8,9,10,10aβ,11-Octahydro-11-oxo-α-methyldibenzo[b,e]thiepin-3-acetic acid phenyl ester

6,6aα,7,8,9,10,10aβ,11-オクタヒドロ-11-オキソ-α-メチルジベンゾ[b,e]チエピン-3-酢酸フェニル
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: C23H24O3S
Molecular formula furigana: C23-H24-O3-S
Molecular weight: 380.500
InChI: InChI=1S/C23H24O3S/c1-15(23(25)26-18-8-3-2-4-9-18)16-11-12-20-21(13-16)27-14-17-7-5-6-10-19(17)22(20)24/h2-4,8-9,11-13,15,17,19H,5-7,10,14H2,1H3/t15?,17-,19+/m1/s1
InChI key: WQRJXJRVJWMQOW-IMNIMJDZSA-N
SMILES: CC(C(=O)Oc1ccccc1)c1ccc2c(SC[C@H]3CCCC[C@@H]3C2=O)c1
Systematic name  (4):
  • 6,6aα,7,8,9,10,10aβ,11-オクタヒドロ-11-オキソ-α-メチルジベンゾ[b,e]チエピン-3-酢酸フェニル
  • 2-[(6,6aα,7,8,9,10,10aβ,11-オクタヒドロ-11-オキソジベンゾ[b,e]チエピン)-3-イル]プロピオン酸フェニル
  • フェニル 2-[(1S,11S)-2-オキソ-9-チアトリシクロ[9.4.0.03,8]ペンタデカ-3,5,7-トリエン-6-イル]プロパノアート
  • phenyl 2-[(1S,11S)-2-oxo-9-thiatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-6-yl]propanoate
Other name (2):
  • 6,6aα,7,8,9,10,10aβ,11-Octahydro-11-oxo-α-methyldibenzo[b,e]thiepin-3-acetic acid phenyl ester
  • 2-[(6,6aα,7,8,9,10,10aβ,11-Octahydro-11-oxodibenzo[b,e]thiepin)-3-yl]propionic acid phenyl ester
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