(phenylmethyl) 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetic acid benzyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N2O3S/c1-2-25-18-9-8-16-10-17(12-22)21(23-19(16)11-18)27-14-20(24)26-13-15-6-4-3-5-7-15/h3-11H,2,13-14H2,1H3