ethyl 5-cyano-6-[(3-methoxycarbonylphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(3-methoxycarbonylphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(3-methoxycarbonylphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-methoxycarbonylphenyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(3-methoxycarbonylphenyl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[(3-carbomethoxybenzyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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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(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-4-25-19(23)16-9-15(10-20)17(21-12(16)2)26-11-13-6-5-7-14(8-13)18(22)24-3/h5-9H,4,11H2,1-3H3