(phenylmethyl) 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]acetic acid benzyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N2O2S/c1-14-8-9-15(2)20-18(14)10-17(11-22)21(23-20)26-13-19(24)25-12-16-6-4-3-5-7-16/h3-10H,12-13H2,1-2H3