diethyl 2-(1-methylimidazol-2-yl)sulfanylpropanedioate hydrobromide

Systemtic Name: diethyl 2-(1-methylimidazol-2-yl)sulfanylpropanedioate hydrobromide Openeye Name: diethyl 2-(1-methylimidazol-2-yl)sulfanylpropanedioate hydrobromide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]propanedioic acid diethyl ester hydrobromide IUPAC Name: diethyl 2-(1-methylimidazol-2-yl)sulfanylpropanedioate hydrobromide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]malonic acid diethyl ester hydrobromide Formula: C11H17BrN2O4S MolecularWeight: 353.23268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC=CN1C.Br

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC=CN1C.Br

InChI

InChI=1S/C11H16N2O4S.BrH/c1-4-16-9(14)8(10(15)17-5-2)18-11-12-6-7-13(11)3;/h6-8H,4-5H2,1-3H3;1H