2-ethoxyethyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate

Systemtic Name: 2-ethoxyethyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate Openeye Name: 2-ethoxyethyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyric acid 2-ethoxyethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCCOCC)SC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCC(C(=O)OCCOCC)SC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C16H22N2O3S/c1-5-14(16(19)21-8-7-20-6-2)22-15-13(10-17)11(3)9-12(4)18-15/h9,14H,5-8H2,1-4H3