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Substance Name: Benzoyloxymethylthiamine
RN: 18481-26-0
InChIKey: KZZQSQPXTWSHLI-JXAWBTAJSA-N

Molecular Formula

  • C20-H24-N4-O4-S

Molecular Weight

  • 416.5
 
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Names and Synonyms

Name of Substance

  • Benzoyloxymethylthiamine

Synonym

  • EINECS 242-371-3

Systematic Name

  • 4-((4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino)-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate

Registry Numbers

CAS Registry Number

  • 18481-26-0

System Generated Number

  • 0018481260

Structure Descriptors

InChI

1S/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)/b18-14-

InChIKey

KZZQSQPXTWSHLI-JXAWBTAJSA-N

Smiles

C(OCS\C(=C(\N(Cc1c(nc(nc1)C)N)C=O)C)CCO)(=O)c1ccccc1