phenacyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: phenacyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: phenacyl 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid phenacyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-12-13(2)16(9-20)19(21-14(12)3)25-11-18(23)24-10-17(22)15-7-5-4-6-8-15/h4-8H,10-11H2,1-3H3