3-[2-[3-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-[3-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]propionic acid Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)NCCC(=O)O

InChI

InChI=1S/C23H18FN3O3S/c24-17-8-6-15(7-9-17)18-12-20(16-4-2-1-3-5-16)27-23(19(18)13-25)31-14-21(28)26-11-10-22(29)30/h1-9,12H,10-11,14H2,(H,26,28)(H,29,30)