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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-methylphenyl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(o-tolyl)acetate CAS Name: 2-(2-methylphenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2-methylphenyl)acetate Traditional Name: 2-(o-tolyl)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO2S MolecularWeight: 371.88042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C20H18ClNO2S/c1-13-5-3-4-6-14(13)10-19(23)24-12-16-9-15-7-8-17(25-2)11-18(15)22-20(16)21/h3-9,11H,10,12H2,1-2H3