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

Systemtic Name: 2-[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[6-(4-allyloxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[6-(4-allyloxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N2O3S/c1-2-7-26-12-5-3-11(4-6-12)15-8-14(18(19,20)21)13(9-22)17(23-15)27-10-16(24)25/h2-6,8H,1,7,10H2,(H,24,25)