methyl 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanoate

Systemtic Name: methyl 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanoate Openeye Name: methyl 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)acetate CAS Name: 2-phenyl-2-(4-pyrimidinylmethylthio)acetic acid methyl ester IUPAC Name: methyl 2-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)acetate Traditional Name: 2-phenyl-2-(4-pyrimidylmethylthio)acetic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SCC2=NC=NC=C2

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SCC2=NC=NC=C2

InChI

InChI=1S/C14H14N2O2S/c1-18-14(17)13(11-5-3-2-4-6-11)19-9-12-7-8-15-10-16-12/h2-8,10,13H,9H2,1H3