[2,3-bis(chloranyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (2,3-dichlorophenyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (2,3-dichlorophenyl) ester Formula: C16H16Cl2N2O2S MolecularWeight: 371.28144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O2S/c1-9-11(10(2)20-16(19-9)23-3)7-8-14(21)22-13-6-4-5-12(17)15(13)18/h4-6H,7-8H2,1-3H3