methyl 2-(3-cyanopyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyanopyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-2-pyridyl)thio]acetic acid methyl ester Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC=N1)C#N

Isomeric SMILES

COC(=O)CSC1=C(C=CC=N1)C#N

InChI

InChI=1S/C9H8N2O2S/c1-13-8(12)6-14-9-7(5-10)3-2-4-11-9/h2-4H,6H2,1H3