ethyl 3-[[3-cyano-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridin-2-yl]-ethyl-amino]propanoate

Systemtic Name: ethyl 3-[[3-cyano-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridin-2-yl]-ethyl-amino]propanoate Openeye Name: ethyl 3-[[3-cyano-5-fluoro-6-(p-tolylsulfanyl)-2-pyridyl]-ethyl-amino]propanoate CAS Name: 3-[[3-cyano-5-fluoro-6-[(4-methylphenyl)thio]-2-pyridinyl]-ethylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-cyano-5-fluoro-6-(4-methylphenyl)sulfanylpyridin-2-yl]-ethylamino]propanoate Traditional Name: 3-[[3-cyano-5-fluoro-6-(p-tolylthio)-2-pyridyl]-ethyl-amino]propionic acid ethyl ester Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C1=NC(=C(C=C1C#N)F)SC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CCC(=O)OCC)C1=NC(=C(C=C1C#N)F)SC2=CC=C(C=C2)C

InChI

InChI=1S/C20H22FN3O2S/c1-4-24(11-10-18(25)26-5-2)19-15(13-22)12-17(21)20(23-19)27-16-8-6-14(3)7-9-16/h6-9,12H,4-5,10-11H2,1-3H3