methyl 2-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: methyl 2-benzylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylmethylthio)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanylpyridine-3-carboxylate Traditional Name: 2-(benzylthio)nicotinic acid methyl ester Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c1-17-14(16)12-8-5-9-15-13(12)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3