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Substance Name: 2-Propenamide, 3-(4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-
RN: 107788-04-5
InChIKey: DDXGADHMHDTYNM-DEDYPNTBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-N2-O4-S

Molecular Weight

  • 458.5358
 
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Names and Synonyms

Synonym

  • 3-(4-(Benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-2-propenamide

Systematic Name

  • 2-Propenamide, 3-(4-(benzoyloxy)-3-ethoxy-5-((phenylthio)methyl)phenyl)-2-cyano-

Registry Numbers

CAS Registry Number

  • 107788-04-5

System Generated Number

  • 0107788045

Structure Descriptors

InChI

1S/C26H22N2O4S/c1-2-31-23-15-18(13-20(16-27)25(28)29)14-21(17-33-22-11-7-4-8-12-22)24(23)32-26(30)19-9-5-3-6-10-19/h3-15H,2,17H2,1H3,(H2,28,29)/b20-13+

InChIKey

DDXGADHMHDTYNM-DEDYPNTBSA-N

Smiles

CCOc1cc(cc(c1OC(=O)c2ccccc2)CSc3ccccc3)/C=C(\C#N)/C(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,