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Substance Name: 2-Propenethioic acid, 3-(3,4,5-trimethoxyphenyl)-, O-ethyl ester
RN: 117666-86-1
InChIKey: JUABUGKQZWXRLB-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-O4-S

Molecular Weight

  • 282.3582
 
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Names and Synonyms

Synonyms

  • 3-(3,4,5-Trimethoxyphenyl)-2-propenethioic acid O-ethyl ester
  • Cinnamic acid, (3,4,5-trimethoxy)thio-, O-ethyl ester

Systematic Name

  • 2-Propenethioic acid, 3-(3,4,5-trimethoxyphenyl)-, O-ethyl ester

Registry Numbers

CAS Registry Number

  • 117666-86-1

System Generated Number

  • 0117666861

Structure Descriptors

InChI

1S/C14H18O4S/c1-5-18-13(19)7-6-10-8-11(15-2)14(17-4)12(9-10)16-3/h6-9H,5H2,1-4H3/b7-6+

InChIKey

JUABUGKQZWXRLB-VOTSOKGWSA-N

Smiles

CCOC(=S)/C=C/c1cc(c(c(c1)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1005mg/kg (1005mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.