ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate bromide

Systemtic Name: ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate bromide Openeye Name: ethyl 2-(cyanomethyl)thiazole-4-carboxylate bromide CAS Name: 2-(cyanomethyl)-4-thiazolecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate bromide Traditional Name: 2-(cyanomethyl)thiazole-4-carboxylic acid ethyl ester bromide Formula: C8H8BrN2O2S- MolecularWeight: 276.13032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CC#N.[Br-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CC#N.[Br-]

InChI

InChI=1S/C8H8N2O2S.BrH/c1-2-12-8(11)6-5-13-7(10-6)3-4-9;/h5H,2-3H2,1H3;1H/p-1