ethyl 2-[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C22H18FN3O4S2 MolecularWeight: 471.524423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C=C1C#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O4S2/c1-2-30-20(27)13-31-22-16(12-24)11-19(14-5-9-18(10-6-14)32(25,28)29)21(26-22)15-3-7-17(23)8-4-15/h3-11H,2,13H2,1H3,(H2,25,28,29)