(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl quinoline-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl quinoline-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C21H15ClN2O2S/c1-27-16-8-6-14-10-15(20(22)24-19(14)11-16)12-26-21(25)18-9-7-13-4-2-3-5-17(13)23-18/h2-11H,12H2,1H3