(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(3-methylphenoxy)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(3-methylphenoxy)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic 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)OCCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3S/c1-14-4-3-5-17(10-14)25-9-8-20(24)26-13-16-11-15-6-7-18(27-2)12-19(15)23-21(16)22/h3-7,10-12H,8-9,13H2,1-2H3