2-[(3-cyano-5-ethoxycarbonyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid IUPAC Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-carbethoxy-3-cyano-6-keto-1H-pyridin-2-yl)thio]acetic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)O)C#N

InChI

InChI=1S/C11H10N2O5S/c1-2-18-11(17)7-3-6(4-12)10(13-9(7)16)19-5-8(14)15/h3H,2,5H2,1H3,(H,13,16)(H,14,15)