2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-p-phenetyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O

InChI

InChI=1S/C17H13F3N2O3S/c1-2-25-11-5-3-10(4-6-11)14-7-13(17(18,19)20)12(8-21)16(22-14)26-9-15(23)24/h3-7H,2,9H2,1H3,(H,23,24)