1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

CAS Registry Number®

306936-24-3
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CAS Name

1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

Molecular Formula

C21H19ClFNO2S

Molecular Mass

403.90

Cite this Page

1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=306936-24-3 (retrieved 2024-05-02) (CAS RN: 306936-24-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H19ClFNO2S/c1-14-16(21(25)26)12-20(15-6-3-2-4-7-15)24(14)10-11-27-13-17-18(22)8-5-9-19(17)23/h2-9,12H,10-11,13H2,1H3,(H,25,26)

InChIKey

InChIKey=GMWHKVOTUSCEPG-UHFFFAOYSA-N

SMILES

C(CSCC1=C(Cl)C=CC=C1F)N2C(=CC(C(O)=O)=C2C)C3=CC=CC=C3

Canonical SMILES

O=C(O)C=1C=C(C=2C=CC=CC2)N(C1C)CCSCC=3C(F)=CC=CC3Cl

Other Names for this Substance

  • 1H-Pyrrole-3-carboxylic acid, 1-[2-[[(2-chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-
  • 1-[2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

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