(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C21H20ClNO3S/c1-13-6-14(2)8-17(7-13)25-12-20(24)26-11-16-9-15-4-5-18(27-3)10-19(15)23-21(16)22/h4-10H,11-12H2,1-3H3