ethyl 4-[2-cyano-3-oxidanylidene-3-[4-(trifluoromethylsulfanyl)phenyl]propanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-cyano-3-oxidanylidene-3-[4-(trifluoromethylsulfanyl)phenyl]propanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-cyano-3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-cyano-1,3-dioxo-3-[4-(trifluoromethylthio)phenyl]propyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-cyano-3-keto-3-[4-(trifluoromethylthio)phenyl]propanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(C#N)C(=O)C2=CC=C(C=C2)SC(F)(F)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C(C#N)C(=O)C2=CC=C(C=C2)SC(F)(F)F)C)C

InChI

InChI=1S/C20H17F3N2O4S/c1-4-29-19(28)16-11(3)25-10(2)15(16)18(27)14(9-24)17(26)12-5-7-13(8-6-12)30-20(21,22)23/h5-8,14,25H,4H2,1-3H3