cyanomethyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: cyanomethyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: cyanomethyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid cyanomethyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC#N

InChI

InChI=1S/C14H12N2O2S/c1-10-8-13(19-9-14(17)18-7-6-15)16-12-5-3-2-4-11(10)12/h2-5,8H,7,9H2,1H3