ethyl 4-(4-chlorophenyl)-5-(trifluoromethylsulfanyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-(trifluoromethylsulfanyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-(trifluoromethylsulfanyl)-1H-pyrrole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-(trifluoromethylthio)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-(trifluoromethylsulfanyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-(trifluoromethylthio)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H11ClF3NO2S MolecularWeight: 349.75585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)Cl)SC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)Cl)SC(F)(F)F

InChI

InChI=1S/C14H11ClF3NO2S/c1-2-21-13(20)10-7-19-12(22-14(16,17)18)11(10)8-3-5-9(15)6-4-8/h3-7,19H,2H2,1H3