Chem
J-GLOBAL ID:200907025837936252   Nikkaji number:J2.164.473K

(3aS,8bS)-1-Benzyl-7-methyl-1,3,3a,4,5,8b-hexahydro-2-oxa-6-thia-1,5-diaza-as-indacene-5-carboxylic acid ethyl ester

(3aS,8bS)-1-ベンジル-7-メチル-1,3,3a,4,5,8b-ヘキサヒドロ-2-オキサ-6-チア-1,5-ジアザ-as-インダセン-5-カルボン酸エチル
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: C19H22N2O3S
Molecular formula furigana: C19-H22-N2-O3-S
Molecular weight: 358.460
InChI: InChI=1S/C19H22N2O3S/c1-3-23-19(22)20-11-15-12-24-21(10-14-7-5-4-6-8-14)17(15)16-9-13(2)25-18(16)20/h4-9,15,17H,3,10-12H2,1-2H3/t15-,17+/m1/s1
InChI key: PYYLIEFPURLCQU-WBVHZDCISA-N
SMILES: CCOC(=O)N1C[C@@H]2CON(Cc3ccccc3)[C@@H]2c2cc(C)sc12
Systematic name  (3):
  • (3aS,8bS)-1-ベンジル-7-メチル-1,3,3a,4,5,8b-ヘキサヒドロ-2-オキサ-6-チア-1,5-ジアザ-as-インダセン-5-カルボン酸エチル
  • エチル (2S,6S)-3-ベンジル-11-メチル-4-オキサ-10-チア-3,8-ジアザトリシクロ[7.3.0.02,6]ドデカ-1(9),11-ジエン-8-カルボキシラート
  • ethyl (2S,6S)-3-benzyl-11-methyl-4-oxa-10-thia-3,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),11-diene-8-carboxylate
Other name (1):
  • (3aS,8bS)-1-Benzyl-7-methyl-1,3,3a,4,5,8b-hexahydro-2-oxa-6-thia-1,5-diaza-as-indacene-5-carboxylic acid ethyl ester
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