(4-cyanophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N2O2S/c1-14-10-19(22-18-5-3-2-4-17(14)18)25-13-20(23)24-12-16-8-6-15(11-21)7-9-16/h2-10H,12-13H2,1H3