(phenylmethyl) 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C18H16N2O3S/c1-12-16(13(2)21)8-15(9-19)18(20-12)24-11-17(22)23-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3