Chem
J-GLOBAL ID：200907082940395123   Nikkaji number：J1.743.840I

(4R)-1-Methyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole-5α,6β-dicarboxylic acid dimethyl ester

(4R)-1-メチル-2-(フェニルチオ)-4β-[1-メチル-2-(フェニルチオ)-5-イミダゾリル]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジカルボン酸ジメチル
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： C28H28N4O4S2
Molecular formula furigana： C28-H28-N4-O4-S2
Molecular weight： 548.680
InChI： InChI=1S/C28H28N4O4S2/c1-31-20-15-19(25(33)35-3)22(26(34)36-4)23(24(20)30-28(31)38-18-13-9-6-10-14-18)21-16-29-27(32(21)2)37-17-11-7-5-8-12-17/h5-14,16,19,22-23H,15H2,1-4H3/t19-,22+,23-/m0/s1
InChI key： SKXWXDAMGOTHDV-PMOQBDJRSA-N
SMILES： COC(=O)[C@H]1Cc2c(nc(Sc3ccccc3)n2C)[C@H]([C@@H]1C(=O)OC)c1cnc(Sc2ccccc2)n1C
Systematic name  (3)：
  • (4R)-1-メチル-2-(フェニルチオ)-4β-[1-メチル-2-(フェニルチオ)-5-イミダゾリル]-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-5α,6β-ジカルボン酸ジメチル
  • 5,6-ジメチル (4R,5S,6S)-1-メチル-4-[1-メチル-2-(フェニルスルファニル)-1H-イミダゾール-5-イル]-2-(フェニルスルファニル)-4,5,6,7-テトラヒドロ-1H-1,3-ベンゾジアゾール-5,6-ジカルボキシラート
  • 5,6-dimethyl (4R,5S,6S)-1-methyl-4-[1-methyl-2-(phenylsulfanyl)-1H-imidazol-5-yl]-2-(phenylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5,6-dicarboxylate
Other name (1)：
  • (4R)-1-Methyl-2-(phenylthio)-4β-[1-methyl-2-(phenylthio)-5-imidazolyl]-4,5,6,7-tetrahydro-1H-benzimidazole-5α,6β-dicarboxylic acid dimethyl ester
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