(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3S/c1-25-17-7-3-14(4-8-17)5-10-20(24)26-13-16-11-15-6-9-18(27-2)12-19(15)23-21(16)22/h3-4,6-9,11-12H,5,10,13H2,1-2H3