(4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (4-acetyl-3-methyl-phenyl) 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-propylsulfonyl-4-pyrimidinecarboxylic acid (4-acetyl-3-methylphenyl) ester IUPAC Name: (4-acetyl-3-methylphenyl) 5-chloro-2-propylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylic acid (4-acetyl-3-methyl-phenyl) ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC(=C(C=C2)C(=O)C)C)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC(=C(C=C2)C(=O)C)C)Cl

InChI

InChI=1S/C17H17ClN2O5S/c1-4-7-26(23,24)17-19-9-14(18)15(20-17)16(22)25-12-5-6-13(11(3)21)10(2)8-12/h5-6,8-9H,4,7H2,1-3H3