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Substance Name: Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-3-thiazolidinyl)-1-methyl-2-oxoethyl) ester
RN: 161364-44-9
InChIKey: KHDBUOXFJZXSCG-MHTVFEQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O4-S2

Molecular Weight

  • 355.4769
 
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Names and Synonyms

Synonym

  • 2-(2-(Methoxyphenoxy)methyl)-3-(2-(acetylthio)propionyl)-1,3-thiazolidine

Systematic Name

  • Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-3-thiazolidinyl)-1-methyl-2-oxoethyl) ester

Registry Numbers

CAS Registry Number

  • 161364-44-9

System Generated Number

  • 0161364449

Structure Descriptors

InChI

1S/C16H21NO4S2/c1-11(21-12(2)22)16(18)17-8-9-23-15(17)10-20-14-7-5-4-6-13(14)19-3/h4-7,11,15H,8-10H2,1-3H3/t11?,15-/m0/s1

InChIKey

KHDBUOXFJZXSCG-MHTVFEQDSA-N

Smiles

CC(C(=O)N1CCS[C@H]1COc2ccccc2OC)OC(=S)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.