methyl 2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]acetic acid methyl ester Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)OC)C#N)C

InChI

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