(E)-3-[2,6-bis(fluoranyl)phenyl]sulfanyl-2-methyl-3-pyridin-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[2,6-bis(fluoranyl)phenyl]sulfanyl-2-methyl-3-pyridin-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(2,6-difluorophenyl)sulfanyl-2-methyl-3-(2-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[(2,6-difluorophenyl)thio]-2-methyl-3-(2-pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-(2,6-difluorophenyl)sulfanyl-2-methyl-3-pyridin-2-ylprop-2-enoic acid Traditional Name: (E)-3-[(2,6-difluorophenyl)thio]-2-methyl-3-(2-pyridyl)acrylic acid Formula: C15H11F2NO2S MolecularWeight: 307.315146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=CC=N1)SC2=C(C=CC=C2F)F)C(=O)O

Isomeric SMILES

C/C(=C(/C1=CC=CC=N1)\SC2=C(C=CC=C2F)F)/C(=O)O

InChI

InChI=1S/C15H11F2NO2S/c1-9(15(19)20)13(12-7-2-3-8-18-12)21-14-10(16)5-4-6-11(14)17/h2-8H,1H3,(H,19,20)/b13-9+