(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO2S2 MolecularWeight: 417.972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO2S2/c1-13-4-6-18(8-14(13)2)27-12-20(24)25-11-16-9-15-5-7-17(26-3)10-19(15)23-21(16)22/h4-10H,11-12H2,1-3H3