2-[5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrol-3-yl]acetic acid Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CC(=CN2)CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CC(=CN2)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H10F3NO2S/c14-13(15,16)9-2-1-3-10(6-9)20-11-4-8(7-17-11)5-12(18)19/h1-4,6-7,17H,5H2,(H,18,19)