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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(2-ethoxyphenyl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C22H22ClNO3S/c1-3-26-20-7-5-4-6-15(20)9-11-21(25)27-14-17-12-16-8-10-18(28-2)13-19(16)24-22(17)23/h4-8,10,12-13H,3,9,11,14H2,1-2H3