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

Systemtic Name: 2-[2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]sulfanyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]thio]acetyl]amino]acetic acid Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H16FN3O3S/c23-16-8-6-15(7-9-16)19-10-17(14-4-2-1-3-5-14)18(11-24)22(26-19)30-13-20(27)25-12-21(28)29/h1-10H,12-13H2,(H,25,27)(H,28,29)