ethyl 3-cyano-6-methyl-2-prop-2-ynylsulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-2-prop-2-ynylsulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-2-prop-2-ynylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-methyl-2-(prop-2-ynylthio)-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-2-prop-2-ynylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-methyl-2-(propargylthio)isonicotinic acid ethyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)SCC#C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)SCC#C)C

InChI

InChI=1S/C13H12N2O2S/c1-4-6-18-12-11(8-14)10(7-9(3)15-12)13(16)17-5-2/h1,7H,5-6H2,2-3H3