ethyl 5-cyano-2-[(E)-2-(dimethylamino)ethenyl]-6-methylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-[(E)-2-(dimethylamino)ethenyl]-6-methylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-[(E)-2-(dimethylamino)vinyl]-6-methylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-[(E)-2-(dimethylamino)ethenyl]-6-(methylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-[(E)-2-(dimethylamino)ethenyl]-6-methylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-[(E)-2-(dimethylamino)vinyl]-6-(methylthio)nicotinic acid ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)C=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC)/C=C/N(C)C

InChI

InChI=1S/C14H17N3O2S/c1-5-19-14(18)11-8-10(9-15)13(20-4)16-12(11)6-7-17(2)3/h6-8H,5H2,1-4H3/b7-6+