[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyrimidine-5-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyrimidine-5-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-methylsulfanylpyrimidine-5-carboxylate CAS Name: 2-(methylthio)-5-pyrimidinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)pyrimidine-5-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C15H14N2O3S2 MolecularWeight: 334.41326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(N=C2)SC

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(N=C2)SC

InChI

InChI=1S/C15H14N2O3S2/c1-21-12-5-3-10(4-6-12)13(18)9-20-14(19)11-7-16-15(22-2)17-8-11/h3-8H,9H2,1-2H3