ethyl 5-cyano-6-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(4-methoxycarbonyl-5-methyl-2-furyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(4-methoxycarbonyl-5-methyl-2-furanyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[(4-carbomethoxy-5-methyl-2-furyl)methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-5-24-18(22)14-6-12(8-19)16(20-10(14)2)26-9-13-7-15(11(3)25-13)17(21)23-4/h6-7H,5,9H2,1-4H3