4-(4-ethylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(4-ethylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(4-ethylphenoxy)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-ethylphenoxy)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(4-ethylphenoxy)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-ethylphenoxy)-2-(methylthio)pyrimidine-5-carboxylate Formula: C14H13N2O3S- MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC(=NC=C2C(=O)[O-])SC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC(=NC=C2C(=O)[O-])SC

InChI

InChI=1S/C14H14N2O3S/c1-3-9-4-6-10(7-5-9)19-12-11(13(17)18)8-15-14(16-12)20-2/h4-8H,3H2,1-2H3,(H,17,18)/p-1