ethyl (2S)-2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridin-2-yl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]sulfanyl]propanoate CAS Name: (2S)-2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylpropanoate Traditional Name: (2S)-2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C21H17FN2O2S2 MolecularWeight: 412.500283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H17FN2O2S2/c1-3-26-21(25)13(2)28-20-17(12-23)16(14-6-8-15(22)9-7-14)11-18(24-20)19-5-4-10-27-19/h4-11,13H,3H2,1-2H3/t13-/m0/s1