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

Systemtic Name: methyl 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]acetic acid methyl ester Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C15H14N2O2S/c1-3-10-4-5-13-11(6-10)7-12(8-16)15(17-13)20-9-14(18)19-2/h4-7H,3,9H2,1-2H3