(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(diethylamino)benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(diethylamino)benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2S/c1-4-25(5-2)18-9-6-15(7-10-18)22(26)27-14-17-12-16-8-11-19(28-3)13-20(16)24-21(17)23/h6-13H,4-5,14H2,1-3H3