methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-furylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate CAS Name: 6-[[2-(2-furanylmethylthio)ethylamino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-furfurylthio)ethylcarbamoyl]nicotinic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NCCSCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NCCSCC2=CC=CO2

InChI

InChI=1S/C15H16N2O4S/c1-20-15(19)11-4-5-13(17-9-11)14(18)16-6-8-22-10-12-3-2-7-21-12/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)