(2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2-ethanoyl-3,5-dimethyl-phenyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (2-acetyl-3,5-dimethyl-phenyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid (2-acetyl-3,5-dimethylphenyl) ester IUPAC Name: (2-acetyl-3,5-dimethylphenyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (2-acetyl-3,5-dimethyl-phenyl) ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)C)C(=O)C)C

InChI

InChI=1S/C16H15ClN2O5S/c1-8-5-9(2)13(10(3)20)12(6-8)24-15(21)14-11(17)7-18-16(19-14)25(4,22)23/h5-7H,1-4H3