Chem
J-GLOBAL ID：200907075831902914   Nikkaji number：J2.113.763D

1α-[3-(Methylthio)allyl]-3α-(5-oxazolyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester

1α-[3-(メチルチオ)アリル]-3α-(5-オキサゾリル)-1,2,3,4-テトラヒドロ-9H-ピリド[3,4-b]インドール-2-カルボン酸tert-ブチル
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： C23H27N3O3S
Molecular formula furigana： C23-H27-N3-O3-S
Molecular weight： 425.550
InChI： InChI=1S/C23H27N3O3S/c1-23(2,3)29-22(27)26-18(10-7-11-30-4)21-16(12-19(26)20-13-24-14-28-20)15-8-5-6-9-17(15)25-21/h5-9,11,13-14,18-19,25H,10,12H2,1-4H3/t18-,19-/m0/s1
InChI key： JMBWEGMPNUNMGI-OALUTQOASA-N
SMILES： CSC=CC[C@@H]1N([C@@H](Cc2c1[nH]c1ccccc21)c1cnco1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 1α-[3-(メチルチオ)アリル]-3α-(5-オキサゾリル)-1,2,3,4-テトラヒドロ-9H-ピリド[3,4-b]インドール-2-カルボン酸tert-ブチル
  • tert-ブチル (1S,3S)-1-[3-(メチルスルファニル)プロパ-2-エン-1-イル]-3-(1,3-オキサゾール-5-イル)-1H,2H,3H,4H,9H-ピリド[3,4-b]インドール-2-カルボキシラート
  • tert-butyl (1S,3S)-1-[3-(methylsulfanyl)prop-2-en-1-yl]-3-(1,3-oxazol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carboxylate
Other name (1)：
  • 1α-[3-(Methylthio)allyl]-3α-(5-oxazolyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester
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