(2,3-dimethylphenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2,3-dimethylphenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (2,3-dimethylphenyl) 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-propylsulfonyl-4-pyrimidinecarboxylic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 5-chloro-2-propylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylic acid (2,3-dimethylphenyl) ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC(=C2C)C)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC(=C2C)C)Cl

InChI

InChI=1S/C16H17ClN2O4S/c1-4-8-24(21,22)16-18-9-12(17)14(19-16)15(20)23-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3