Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate

CAS Registry Number®

956576-58-2
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CAS Name

Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate

Molecular Formula

C13H16N2O3S2

Molecular Mass

312.41

Cite this Page

Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=956576-58-2 (retrieved 2024-07-31) (CAS RN: 956576-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O3S2/c1-5-15(6-2)12(16)10-8(3)9(13(17)18-4)11(20-10)14-7-19/h5-6H2,1-4H3

InChIKey

InChIKey=WZCFQBZCBUCGBJ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(N=C=S)SC(C(N(CC)CC)=O)=C1C

Canonical SMILES

O=C(OC)C1=C(N=C=S)SC(C(=O)N(CC)CC)=C1C

Other Names for this Substance

  • 3-Thiophenecarboxylic acid, 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-, methyl ester
  • Methyl 5-[(diethylamino)carbonyl]-2-isothiocyanato-4-methyl-3-thiophenecarboxylate