(4-methoxycarbonylphenyl) 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4S/c1-20-12(18)8-3-5-9(6-4-8)21-13(19)11-10(15)7-16-14(17-11)22-2/h3-7H,1-2H3