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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-phenylpyrimidine-5-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-phenylpyrimidine-5-carboxylate CAS Name: 2-phenyl-5-pyrimidinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-phenylpyrimidine-5-carboxylate Traditional Name: 2-phenylpyrimidine-5-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(N=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3S/c1-26-17-9-7-14(8-10-17)18(23)13-25-20(24)16-11-21-19(22-12-16)15-5-3-2-4-6-15/h2-12H,13H2,1H3