(phenylmethyl) 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]acetic acid benzyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C21H18N2O4S/c1-25-18-9-15-8-16(11-22)21(23-17(15)10-19(18)26-2)28-13-20(24)27-12-14-6-4-3-5-7-14/h3-10H,12-13H2,1-2H3