(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)OC

InChI

InChI=1S/C21H20ClNO4S/c1-25-18-7-4-13(8-19(18)26-2)9-20(24)27-12-15-10-14-5-6-16(28-3)11-17(14)23-21(15)22/h4-8,10-11H,9,12H2,1-3H3