(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl adamantane-1-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl adamantane-1-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H24ClNO2S/c1-27-18-3-2-16-7-17(20(23)24-19(16)8-18)12-26-21(25)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-12H2,1H3