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

Systemtic Name: cyclohexyl 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]acetic acid cyclohexyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC3CCCCC3)C#N

InChI

InChI=1S/C19H20N2O2S/c1-13-7-8-14-10-15(11-20)19(21-17(14)9-13)24-12-18(22)23-16-5-3-2-4-6-16/h7-10,16H,2-6,12H2,1H3