methyl 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]acetic acid methyl ester Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)OC)C#N)C

InChI

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