(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(1-adamantyl)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(1-adamantyl)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H26ClNO2S MolecularWeight: 415.97604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H26ClNO2S/c1-28-19-3-2-17-7-18(22(24)25-20(17)8-19)13-27-21(26)12-23-9-14-4-15(10-23)6-16(5-14)11-23/h2-3,7-8,14-16H,4-6,9-13H2,1H3