1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-[2-(difluoromethylthio)phenyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(difluoromethylsulfanyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-[2-(difluoromethylthio)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H13F2NO2S MolecularWeight: 297.320326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2SC(F)F)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2SC(F)F)C)C(=O)O

InChI

InChI=1S/C14H13F2NO2S/c1-8-7-10(13(18)19)9(2)17(8)11-5-3-4-6-12(11)20-14(15)16/h3-7,14H,1-2H3,(H,18,19)