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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester
RN: 38322-77-9
InChIKey: DXWBCHFGULQNLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-O3-S

Molecular Weight

  • 234.274
 
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Names and Synonyms

Synonyms

  • 4-18-00-05567 (Beilstein Handbook Reference)
  • BRN 0178780
  • Ethyl 4-thioxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 4-thioxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 38322-77-9

System Generated Number

  • 0038322779

Structure Descriptors

InChI

1S/C12H10O3S/c1-2-14-12(13)10-7-11(16)8-5-3-4-6-9(8)15-10/h3-7H,2H2,1H3

InChIKey

DXWBCHFGULQNLY-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(=S)c2ccccc2o1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.