2-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]thio]acetyl]amino]acetate Formula: C20H13FN3O3S2- MolecularWeight: 426.463923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)SCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C20H14FN3O3S2/c21-13-5-3-12(4-6-13)14-8-16(17-2-1-7-28-17)24-20(15(14)9-22)29-11-18(25)23-10-19(26)27/h1-8H,10-11H2,(H,23,25)(H,26,27)/p-1