(phenylmethyl) 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6,8-trimethyl-2-quinolyl)thio]acetic acid benzyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)OCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)OCC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H21NO2S/c1-14-9-16(3)21-18(10-14)15(2)11-19(22-21)25-13-20(23)24-12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3