ethyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]ethanoate

Systemtic Name: ethyl 2-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]-4-fluoro-anilino)acetate CAS Name: 2-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-4-fluoroanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]-4-fluoroanilino)acetate Traditional Name: 2-(N-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]-4-fluoro-anilino)acetic acid ethyl ester Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)CN(C1=CC=C(C=C1)F)C(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C20H20FN3O3S/c1-4-27-19(26)11-24(16-7-5-15(21)6-8-16)18(25)12-28-20-17(10-22)13(2)9-14(3)23-20/h5-9H,4,11-12H2,1-3H3