(5-bromanyl-2-methoxy-phenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid (5-bromo-2-methoxy-benzyl) ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C16H17BrN2O3S/c1-10-6-11(2)19-16(18-10)23-9-15(20)22-8-12-7-13(17)4-5-14(12)21-3/h4-7H,8-9H2,1-3H3