(phenylmethyl) 2-(4,8-dimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4,8-dimethylquinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,8-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]acetic acid benzyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO2S/c1-14-7-6-10-17-15(2)11-18(21-20(14)17)24-13-19(22)23-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3