[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S/c1-9-4-6-11(7-5-9)14(20)10(2)22-15(21)13-12(17)8-18-16(19-13)23-3/h4-8,10H,1-3H3