(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H24ClNO5S MolecularWeight: 461.95836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C23H24ClNO5S/c1-27-19-9-14(10-20(28-2)22(19)29-3)5-8-21(26)30-13-16-11-15-6-7-17(31-4)12-18(15)25-23(16)24/h6-7,9-12H,5,8,13H2,1-4H3