[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S/c1-9-4-5-10(2)11(6-9)13(20)8-22-15(21)14-12(17)7-18-16(19-14)23-3/h4-7H,8H2,1-3H3