ethyl 2-azanyl-4-(1-bromanyl-2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-5-carboxylate bromide

Systemtic Name: ethyl 2-azanyl-4-(1-bromanyl-2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-3-ium-5-carboxylate bromide Openeye Name: ethyl 2-amino-4-(1-bromo-2-ethoxy-2-oxo-ethyl)thiazol-3-ium-5-carboxylate bromide CAS Name: 2-amino-4-(1-bromo-2-ethoxy-2-oxoethyl)-5-thiazol-3-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-amino-4-(1-bromo-2-ethoxy-2-oxoethyl)-1,3-thiazol-3-ium-5-carboxylate bromide Traditional Name: 2-amino-4-(1-bromo-2-ethoxy-2-keto-ethyl)thiazol-3-ium-5-carboxylic acid ethyl ester bromide Formula: C10H14Br2N2O4S MolecularWeight: 418.10216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(S1)N)C(C(=O)OCC)Br.[Br-]

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(S1)N)C(C(=O)OCC)Br.[Br-]

InChI

InChI=1S/C10H13BrN2O4S.BrH/c1-3-16-8(14)5(11)6-7(9(15)17-4-2)18-10(12)13-6;/h5H,3-4H2,1-2H3,(H2,12,13);1H