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

Systemtic Name: cyclohexyl 2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetic acid cyclohexyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

InChI

InChI=1S/C19H20N2O3S/c1-23-16-8-7-13-9-14(11-20)19(21-17(13)10-16)25-12-18(22)24-15-5-3-2-4-6-15/h7-10,15H,2-6,12H2,1H3