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

Systemtic Name: (phenylmethyl) 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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