(2-ethanoyl-4-methyl-phenyl) 5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-methyl-phenyl) 5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxylic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-esyl-pyrimidine-4-carboxylic acid (2-acetyl-4-methyl-phenyl) ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=C(C=C(C=C2)C)C(=O)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=C(C=C(C=C2)C)C(=O)C)Cl

InChI

InChI=1S/C16H15ClN2O5S/c1-4-25(22,23)16-18-8-12(17)14(19-16)15(21)24-13-6-5-9(2)7-11(13)10(3)20/h5-8H,4H2,1-3H3