ethyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate

Systemtic Name: ethyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate Openeye Name: ethyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzoate CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzoate Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-benzoic acid ethyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=NC(=CC(=N2)C)C)S

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=NC(=CC(=N2)C)C)S

InChI

InChI=1S/C15H16N2O2S/c1-4-19-15(18)12-6-5-11(8-13(12)20)14-16-9(2)7-10(3)17-14/h5-8,20H,4H2,1-3H3