ethyl 5-cyano-2-methyl-6-phenethylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-phenethylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-phenethylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(phenethylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-phenethylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(phenethylthio)nicotinic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCC2=CC=CC=C2)C

InChI

InChI=1S/C18H18N2O2S/c1-3-22-18(21)16-11-15(12-19)17(20-13(16)2)23-10-9-14-7-5-4-6-8-14/h4-8,11H,3,9-10H2,1-2H3