methyl 6-[2-(phenylmethylsulfanyl)ethylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 6-[2-(phenylmethylsulfanyl)ethylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 6-(2-benzylsulfanylethylcarbamoyl)pyridine-2-carboxylate CAS Name: 6-[oxo-[2-(phenylmethylthio)ethylamino]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-benzylsulfanylethylcarbamoyl)pyridine-2-carboxylate Traditional Name: 6-[2-(benzylthio)ethylcarbamoyl]picolinic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)15-9-5-8-14(19-15)16(20)18-10-11-23-12-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,18,20)