2-azanyl-3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(4-ethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-p-phenetyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C16H16F3N3O3S MolecularWeight: 387.37675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O3S/c1-2-25-10-5-3-9(4-6-10)12-7-13(16(17,18)19)22-15(21-12)26-8-11(20)14(23)24/h3-7,11H,2,8,20H2,1H3,(H,23,24)