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

Systemtic Name: (phenylmethyl) 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: benzyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid benzyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-12-9-13(2)20-17(16(12)10-19)23-14(3)18(21)22-11-15-7-5-4-6-8-15/h4-9,14H,11H2,1-3H3