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

Systemtic Name: (phenylmethyl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate Openeye Name: benzyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyric acid benzyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C19H20N2O2S/c1-4-17(19(22)23-12-15-8-6-5-7-9-15)24-18-16(11-20)13(2)10-14(3)21-18/h5-10,17H,4,12H2,1-3H3