Chem
J-GLOBAL ID：200907098563292571   Nikkaji number：J2.730.604G

(3S)-1-[2-(Phenylsulfinyl)ethyl]-3β-ethyl-6β-[1-(phenylsulfonyl)-1H-indole-2-yl]-1,2,3,6-tetrahydropyridine-4-acetic acid ethyl ester

(3S)-1-[2-(フェニルスルフィニル)エチル]-3β-エチル-6β-[1-(フェニルスルホニル)-1H-インドール-2-イル]-1,2,3,6-テトラヒドロピリジン-4-酢酸エチル
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： C33H36N2O5S2
Molecular formula furigana： C33-H36-N2-O5-S2
Molecular weight： 604.780
InChI： InChI=1S/C33H36N2O5S2/c1-3-25-24-34(19-20-41(37)28-14-7-5-8-15-28)31(22-27(25)23-33(36)40-4-2)32-21-26-13-11-12-18-30(26)35(32)42(38,39)29-16-9-6-10-17-29/h5-18,21-22,25,31H,3-4,19-20,23-24H2,1-2H3/t25-,31+,41?/m1/s1
InChI key： XRCAEKQYCHHUKX-SAJIJMSSSA-N
SMILES： CCOC(=O)CC1=C[C@H](N(CCS(=O)c2ccccc2)C[C@H]1CC)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
Systematic name  (3)：
  • (3S)-1-[2-(フェニルスルフィニル)エチル]-3β-エチル-6β-[1-(フェニルスルホニル)-1H-インドール-2-イル]-1,2,3,6-テトラヒドロピリジン-4-酢酸エチル
  • エチル 2-[(3S,6S)-1-[2-(ベンゼンスルフィニル)エチル]-6-[1-(ベンゼンスルホニル)-1H-インドール-2-イル]-3-エチル-1,2,3,6-テトラヒドロピリジン-4-イル]アセタート
  • ethyl 2-[(3S,6S)-1-[2-(benzenesulfinyl)ethyl]-6-[1-(benzenesulfonyl)-1H-indol-2-yl]-3-ethyl-1,2,3,6-tetrahydropyridin-4-yl]acetate
Other name (1)：
  • (3S)-1-[2-(Phenylsulfinyl)ethyl]-3β-ethyl-6β-[1-(phenylsulfonyl)-1H-indole-2-yl]-1,2,3,6-tetrahydropyridine-4-acetic acid ethyl ester
Thsaurus map：
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