ethyl 2-[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(4-fluorophenyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C19H17FN2O2S MolecularWeight: 356.413883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C19H17FN2O2S/c1-2-24-18(23)11-25-19-16(10-21)15(9-17(22-19)13-3-4-13)12-5-7-14(20)8-6-12/h5-9,13H,2-4,11H2,1H3