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

Systemtic Name: ethyl 3-[[3-cyano-5-fluoranyl-6-(4-methylphenyl)sulfanyl-pyridin-2-yl]-cyclopropyl-amino]propanoate Openeye Name: ethyl 3-[[3-cyano-5-fluoro-6-(p-tolylsulfanyl)-2-pyridyl]-cyclopropyl-amino]propanoate CAS Name: 3-[[3-cyano-5-fluoro-6-[(4-methylphenyl)thio]-2-pyridinyl]-cyclopropylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-cyano-5-fluoro-6-(4-methylphenyl)sulfanylpyridin-2-yl]-cyclopropylamino]propanoate Traditional Name: 3-[[3-cyano-5-fluoro-6-(p-tolylthio)-2-pyridyl]-cyclopropyl-amino]propionic acid ethyl ester Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C2=NC(=C(C=C2C#N)F)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C2=NC(=C(C=C2C#N)F)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22FN3O2S/c1-3-27-19(26)10-11-25(16-6-7-16)20-15(13-23)12-18(22)21(24-20)28-17-8-4-14(2)5-9-17/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3