6-tert-butyl-3-cyano-4-ethoxycarbonyl-pyridine-2-thiolate

Systemtic Name: 6-tert-butyl-3-cyano-4-ethoxycarbonyl-pyridine-2-thiolate Openeye Name: 6-tert-butyl-3-cyano-4-ethoxycarbonyl-pyridine-2-thiolate CAS Name: 6-tert-butyl-3-cyano-4-ethoxycarbonyl-2-pyridinethiolate IUPAC Name: 6-tert-butyl-3-cyano-4-ethoxycarbonylpyridine-2-thiolate Traditional Name: 6-tert-butyl-4-carbethoxy-3-cyano-pyridine-2-thiolate Formula: C13H15N2O2S- MolecularWeight: 263.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)[S-])C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)[S-])C(C)(C)C

InChI

InChI=1S/C13H16N2O2S/c1-5-17-12(16)8-6-10(13(2,3)4)15-11(18)9(8)7-14/h6H,5H2,1-4H3,(H,15,18)/p-1