methyl 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]acetic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)OC)C#N

InChI

InChI=1S/C14H12N2O2S/c1-9-3-4-10-6-11(7-15)14(16-12(10)5-9)19-8-13(17)18-2/h3-6H,8H2,1-2H3