cyclohexyl 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-2-quinolinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-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)N=C(C(=C2)C#N)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC3CCCCC3

InChI

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