S-dodecyl 2-(5-chloranylquinolin-8-yl)oxyethanethioate

Systemtic Name: S-dodecyl 2-(5-chloranylquinolin-8-yl)oxyethanethioate Openeye Name: S-dodecyl 2-[(5-chloro-8-quinolyl)oxy]ethanethioate CAS Name: 2-[(5-chloro-8-quinolinyl)oxy]ethanethioic acid S-dodecyl ester IUPAC Name: S-dodecyl 2-(5-chloroquinolin-8-yl)oxyethanethioate Traditional Name: 2-[(5-chloro-8-quinolyl)oxy]ethanethioic acid S-lauryl ester Formula: C23H32ClNO2S MolecularWeight: 422.02368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2

Isomeric SMILES

CCCCCCCCCCCCSC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2

InChI

InChI=1S/C23H32ClNO2S/c1-2-3-4-5-6-7-8-9-10-11-17-28-22(26)18-27-21-15-14-20(24)19-13-12-16-25-23(19)21/h12-16H,2-11,17-18H2,1H3