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

Systemtic Name: cyclohexyl 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]acetic acid cyclohexyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

InChI

InChI=1S/C20H22N2O3S/c1-2-24-17-9-8-14-10-15(12-21)20(22-18(14)11-17)26-13-19(23)25-16-6-4-3-5-7-16/h8-11,16H,2-7,13H2,1H3