ethyl (2S)-2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylpropanoate Openeye Name: ethyl (2S)-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]propanoate CAS Name: (2S)-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]propionic acid ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=CC(=N1)C2=CC=NC=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-3-21-16(20)11(2)22-15-13(10-17)4-5-14(19-15)12-6-8-18-9-7-12/h4-9,11H,3H2,1-2H3/t11-/m0/s1