ethyl 6-(4-nitrophenyl)-7H-imidazo[2,1-b][1,3]thiazol-4-ium-3-carboxylate bromide

Systemtic Name: ethyl 6-(4-nitrophenyl)-7H-imidazo[2,1-b][1,3]thiazol-4-ium-3-carboxylate bromide Openeye Name: ethyl 6-(4-nitrophenyl)-7H-imidazo[2,1-b]thiazol-4-ium-3-carboxylate bromide CAS Name: 6-(4-nitrophenyl)-7H-imidazo[2,1-b]thiazol-4-ium-3-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 6-(4-nitrophenyl)-7H-imidazo[2,1-b][1,3]thiazol-4-ium-3-carboxylate bromide Traditional Name: 6-(4-nitrophenyl)-7H-imidazo[2,1-b]thiazol-4-ium-3-carboxylic acid ethyl ester bromide Formula: C14H12BrN3O4S MolecularWeight: 398.23178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC2=[N+]1C=C(N2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCOC(=O)C1=CSC2=[N+]1C=C(N2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H11N3O4S.BrH/c1-2-21-13(18)12-8-22-14-15-11(7-16(12)14)9-3-5-10(6-4-9)17(19)20;/h3-8H,2H2,1H3;1H