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

Systemtic Name: ethyl 5-cyano-6-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(5-methoxycarbonyl-2-furanyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[(5-carbomethoxy-2-furyl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(O2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(O2)C(=O)OC)C

InChI

InChI=1S/C17H16N2O5S/c1-4-23-16(20)13-7-11(8-18)15(19-10(13)2)25-9-12-5-6-14(24-12)17(21)22-3/h5-7H,4,9H2,1-3H3