ethyl 2-(3-cyano-6-ethanoyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-cyano-6-ethanoyl-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(6-acetyl-3-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-acetyl-3-cyano-2-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-acetyl-3-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-acetyl-3-cyano-2-pyridyl)thio]acetic acid ethyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-3-17-11(16)7-18-12-9(6-13)4-5-10(14-12)8(2)15/h4-5H,3,7H2,1-2H3