(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-ethylphenoxy)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-ethylphenoxy)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)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:

CCC1=CC=C(C=C1)OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

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