cyclohexyl 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]acetic acid cyclohexyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C19H20N2O2S/c1-13-6-5-7-14-10-15(11-20)19(21-18(13)14)24-12-17(22)23-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,12H2,1H3