methyl 4-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid methyl ester Formula: C21H15FN2O3S2 MolecularWeight: 426.483803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H15FN2O3S2/c1-27-20(26)9-15(25)12-29-21-17(11-23)16(13-4-6-14(22)7-5-13)10-18(24-21)19-3-2-8-28-19/h2-8,10H,9,12H2,1H3