Chem
J-GLOBAL ID：200907036317078530   Nikkaji number：J549.474E

(αS)-10,11-Dihydro-α-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid

(S)-10,11-ジヒドロ-α-メチル-10-オキソジベンゾ[b,f]チエピン-2-酢酸
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： C17H14O3S
Molecular formula furigana： C17-H14-O3-S
Molecular weight： 298.360
InChI： InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1
InChI key： MUXFZBHBYYYLTH-JTQLQIEISA-N
SMILES： C[C@H](C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1
Systematic name  (4)：
  • (S)-10,11-ジヒドロ-α-メチル-10-オキソジベンゾ[b,f]チエピン-2-酢酸
  • (αS)-10,11-ジヒドロ-α-メチル-10-オキソジベンゾ[b,f]チエピン-2-酢酸
  • (2S)-2-{10-オキソ-2-チアトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-6-イル}プロパン酸
  • (2S)-2-{10-oxo-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}propanoic acid
Other name (1)：
  • (αS)-10,11-Dihydro-α-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid
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