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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H18ClNO2S2 MolecularWeight: 403.94542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C20H18ClNO2S2/c1-13-5-3-4-6-18(13)26-12-19(23)24-11-15-9-14-7-8-16(25-2)10-17(14)22-20(15)21/h3-10H,11-12H2,1-2H3