(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2,4,6-trimethylbenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2,4,6-trimethylbenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C21H20ClNO2S/c1-12-7-13(2)19(14(3)8-12)21(24)25-11-16-9-15-5-6-17(26-4)10-18(15)23-20(16)22/h5-10H,11H2,1-4H3