ethyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenylmethylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H16N2O2S/c1-3-21-17(20)15-9-14(10-18)16(19-12(15)2)22-11-13-7-5-4-6-8-13/h4-9H,3,11H2,1-2H3