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

Systemtic Name: (phenylmethyl) 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-methoxy-2-quinolyl)thio]acetic acid benzyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3S/c1-24-17-7-8-18-15(10-17)9-16(11-21)20(22-18)26-13-19(23)25-12-14-5-3-2-4-6-14/h2-10H,12-13H2,1H3