(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=C(N=C(N=C3C)SC)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCC3=C(N=C(N=C3C)SC)C)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-12-15-7-5-6-8-17(15)25-18(20(12)22)11-27-19(26)10-9-16-13(2)23-21(28-4)24-14(16)3/h5-8H,9-11H2,1-4H3