(3-bromophenyl) 5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (3-bromophenyl) 5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (3-bromophenyl) 5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-ethylsulfonyl-4-pyrimidinecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-esyl-pyrimidine-4-carboxylic acid (3-bromophenyl) ester Formula: C13H10BrClN2O4S MolecularWeight: 405.6515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrClN2O4S/c1-2-22(19,20)13-16-7-10(15)11(17-13)12(18)21-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3