phenacyl 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: phenacyl 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: phenacyl 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid phenacyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13-10-14(2)21-19(16(13)11-20)25-9-8-18(23)24-12-17(22)15-6-4-3-5-7-15/h3-7,10H,8-9,12H2,1-2H3