propyl 2-(4,8-dimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: propyl 2-(4,8-dimethylquinolin-2-yl)sulfanylethanoate Openeye Name: propyl 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(4,8-dimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]acetic acid propyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC2=C(C=CC=C2C)C(=C1)C

Isomeric SMILES

CCCOC(=O)CSC1=NC2=C(C=CC=C2C)C(=C1)C

InChI

InChI=1S/C16H19NO2S/c1-4-8-19-15(18)10-20-14-9-12(3)13-7-5-6-11(2)16(13)17-14/h5-7,9H,4,8,10H2,1-3H3