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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-12-16(13(2)23-20(22-12)27-3)8-9-18(25)26-11-15-10-14-6-4-5-7-17(14)24-19(15)21/h4-7,10H,8-9,11H2,1-3H3