ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-5-methyl-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-5-methyl-isoxazole-3-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1CSC2=C(C(=CC(=N2)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=NOC(=C1CSC2=C(C(=CC(=N2)C)C)C#N)C

InChI

InChI=1S/C16H17N3O3S/c1-5-21-16(20)14-13(11(4)22-19-14)8-23-15-12(7-17)9(2)6-10(3)18-15/h6H,5,8H2,1-4H3