(phenylmethyl) 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-methyl-2-quinolyl)thio]acetic acid benzyl ester Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

InChI

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