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

Systemtic Name: 5-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-2-methyl-3-furoate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(O2)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(O2)C)C(=O)[O-])C

InChI

InChI=1S/C16H16N2O3S/c1-8-9(2)14(6-17)15(18-10(8)3)22-7-12-5-13(16(19)20)11(4)21-12/h5H,7H2,1-4H3,(H,19,20)/p-1