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

Systemtic Name: propan-2-yl 4-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H19FN2O3S2 MolecularWeight: 454.536963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O3S2/c1-14(2)29-22(28)10-17(27)13-31-23-19(12-25)18(15-5-7-16(24)8-6-15)11-20(26-23)21-4-3-9-30-21/h3-9,11,14H,10,13H2,1-2H3