methyl 5-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=C(O2)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=C(O2)C(=O)OC)C

InChI

InChI=1S/C16H16N2O3S/c1-9-10(2)13(7-17)15(18-11(9)3)22-8-12-5-6-14(21-12)16(19)20-4/h5-6H,8H2,1-4H3