O-hexyl 2-(5-chloranylquinolin-8-yl)oxyethanethioate

Systemtic Name: O-hexyl 2-(5-chloranylquinolin-8-yl)oxyethanethioate Openeye Name: O-hexyl 2-[(5-chloro-8-quinolyl)oxy]ethanethioate CAS Name: 2-[(5-chloro-8-quinolinyl)oxy]ethanethioic acid O-hexyl ester IUPAC Name: O-hexyl 2-(5-chloroquinolin-8-yl)oxyethanethioate Traditional Name: 2-[(5-chloro-8-quinolyl)oxy]ethanethioic acid O-hexyl ester Formula: C17H20ClNO2S MolecularWeight: 337.8642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=S)COC1=C2C(=C(C=C1)Cl)C=CC=N2

Isomeric SMILES

CCCCCCOC(=S)COC1=C2C(=C(C=C1)Cl)C=CC=N2

InChI

InChI=1S/C17H20ClNO2S/c1-2-3-4-5-11-20-16(22)12-21-15-9-8-14(18)13-7-6-10-19-17(13)15/h6-10H,2-5,11-12H2,1H3