3-[3-(3-propanoyloxyphenyl)-4-sulfanylidene-5-(trifluoromethyloxy)pyridin-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-propanoyloxyphenyl)-4-sulfanylidene-5-(trifluoromethyloxy)pyridin-1-yl]propanoic acid Openeye Name: 3-[3-(3-propanoyloxyphenyl)-4-thioxo-5-(trifluoromethoxy)-1-pyridyl]propanoic acid CAS Name: 3-[3-[3-(1-oxopropoxy)phenyl]-4-sulfanylidene-5-(trifluoromethoxy)-1-pyridinyl]propanoic acid IUPAC Name: 3-[3-(3-propanoyloxyphenyl)-4-sulfanylidene-5-(trifluoromethoxy)pyridin-1-yl]propanoic acid Traditional Name: 3-[3-(3-propionyloxyphenyl)-4-thioxo-5-(trifluoromethoxy)-1-pyridyl]propionic acid Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=S)OC(F)(F)F)CCC(=O)O

Isomeric SMILES

CCC(=O)OC1=CC=CC(=C1)C2=CN(C=C(C2=S)OC(F)(F)F)CCC(=O)O

InChI

InChI=1S/C18H16F3NO5S/c1-2-16(25)26-12-5-3-4-11(8-12)13-9-22(7-6-15(23)24)10-14(17(13)28)27-18(19,20)21/h3-5,8-10H,2,6-7H2,1H3,(H,23,24)