(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3R)-3-phenylbutanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC1=C(N=C2C=C(C=CC2=C1)SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClNO2S/c1-14(15-6-4-3-5-7-15)10-20(24)25-13-17-11-16-8-9-18(26-2)12-19(16)23-21(17)22/h3-9,11-12,14H,10,13H2,1-2H3/t14-/m1/s1