ethyl 2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3,5,7-trimethylquinolin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3,5,7-trimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3,5,7-trimethyl-2-quinolinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3,5,7-trimethyl-2-quinolyl)thio]acetic acid ethyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C2C(=CC(=CC2=N1)C)C)C

Isomeric SMILES

CCOC(=O)CSC1=C(C=C2C(=CC(=CC2=N1)C)C)C

InChI

InChI=1S/C16H19NO2S/c1-5-19-15(18)9-20-16-12(4)8-13-11(3)6-10(2)7-14(13)17-16/h6-8H,5,9H2,1-4H3