3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: 3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(4-ethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: 3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-p-phenetyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionate Formula: C16H14F3N2O3S- MolecularWeight: 371.35417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H15F3N2O3S/c1-2-24-11-5-3-10(4-6-11)12-9-13(16(17,18)19)21-15(20-12)25-8-7-14(22)23/h3-6,9H,2,7-8H2,1H3,(H,22,23)/p-1