(phenylmethyl) 2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-isopropyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C#N)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C#N)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O2S/c1-13(2)16-9-8-15(10-19)18(20-16)23-12-17(21)22-11-14-6-4-3-5-7-14/h3-9,13H,11-12H2,1-2H3