ethyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H18N2O2S/c1-4-20-15(19)14-7-5-13(6-8-14)10-21-16-17-11(2)9-12(3)18-16/h5-9H,4,10H2,1-3H3