2-[3-cyano-4-[3-(trifluoromethylsulfanyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-(trifluoromethylsulfanyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-(trifluoromethylsulfanyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-(trifluoromethylthio)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-(trifluoromethylsulfanyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-(trifluoromethylthio)phenyl]pyrrol-1-yl]acetic acid Formula: C14H9F3N2O2S MolecularWeight: 326.29367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C14H9F3N2O2S/c15-14(16,17)22-11-3-1-2-9(4-11)12-7-19(8-13(20)21)6-10(12)5-18/h1-4,6-7H,8H2,(H,20,21)