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

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(dimethylamino)benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2S/c1-23(2)16-6-4-5-14(10-16)20(24)25-12-15-9-13-7-8-17(26-3)11-18(13)22-19(15)21/h4-11H,12H2,1-3H3