Chem
J-GLOBAL ID:200907017714960504   Nikkaji number:J1.291.313C

(2S)-6α-[2-Methylene-3-(phenylthio)propyl]-1,2,3,6-tetrahydropyridine-2α-carboxylic acid methyl ester

(2S)-6α-[2-メチレン-3-(フェニルチオ)プロピル]-1,2,3,6-テトラヒドロピリジン-2α-カルボン酸メチル
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: C17H21NO2S
Molecular formula furigana: C17-H21-N-O2-S
Molecular weight: 303.420
InChI: InChI=1S/C17H21NO2S/c1-13(12-21-15-8-4-3-5-9-15)11-14-7-6-10-16(18-14)17(19)20-2/h3-9,14,16,18H,1,10-12H2,2H3/t14-,16+/m1/s1
InChI key: HKLULFOJAKMXNB-ZBFHGGJFSA-N
SMILES: COC(=O)[C@@H]1CC=C[C@H](CC(=C)CSc2ccccc2)N1
Systematic name  (3):
  • (2S)-6α-[2-メチレン-3-(フェニルチオ)プロピル]-1,2,3,6-テトラヒドロピリジン-2α-カルボン酸メチル
  • メチル (2S,6S)-6-{2-[(フェニルスルファニル)メチル]プロパ-2-エン-1-イル}-1,2,3,6-テトラヒドロピリジン-2-カルボキシラート
  • methyl (2S,6S)-6-{2-[(phenylsulfanyl)methyl]prop-2-en-1-yl}-1,2,3,6-tetrahydropyridine-2-carboxylate
Other name (1):
  • (2S)-6α-[2-Methylene-3-(phenylthio)propyl]-1,2,3,6-tetrahydropyridine-2α-carboxylic acid methyl ester
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