ethyl 4-(2-methylsulfanylpyrimidin-4-yl)benzoate

Systemtic Name: ethyl 4-(2-methylsulfanylpyrimidin-4-yl)benzoate Openeye Name: ethyl 4-(2-methylsulfanylpyrimidin-4-yl)benzoate CAS Name: 4-[2-(methylthio)-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanylpyrimidin-4-yl)benzoate Traditional Name: 4-[2-(methylthio)pyrimidin-4-yl]benzoic acid ethyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)SC

InChI

InChI=1S/C14H14N2O2S/c1-3-18-13(17)11-6-4-10(5-7-11)12-8-9-15-14(16-12)19-2/h4-9H,3H2,1-2H3