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

Systemtic Name: (phenylmethyl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H16N2O2S/c1-12-8-13(2)19-17(15(12)9-18)22-11-16(20)21-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3