ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 2-(p-tolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)thio]nicotinic acid ethyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-3-19-16(18)14-5-4-10-17-15(14)20-11-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3