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

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

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

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C21H20ClNO2S/c1-3-18(14-7-5-4-6-8-14)21(24)25-13-16-11-15-9-10-17(26-2)12-19(15)23-20(16)22/h4-12,18H,3,13H2,1-2H3/t18-/m1/s1