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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-methylphenoxy)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-13-5-3-4-6-18(13)24-12-19(23)25-11-15-9-14-7-8-16(26-2)10-17(14)22-20(15)21/h3-10H,11-12H2,1-2H3