ethyl 4-[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoate bromide

Systemtic Name: ethyl 4-[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoylamino]benzoate bromide Openeye Name: ethyl 4-[[2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetyl]amino]benzoate bromide CAS Name: 4-[[1-oxo-2-(2,4,5-trimethyl-3-thiazol-3-iumyl)ethyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[[2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)acetyl]amino]benzoate bromide Traditional Name: 4-[[2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetyl]amino]benzoic acid ethyl ester bromide Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(SC(=C2C)C)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=C(SC(=C2C)C)C.[Br-]

InChI

InChI=1S/C17H20N2O3S.BrH/c1-5-22-17(21)14-6-8-15(9-7-14)18-16(20)10-19-11(2)12(3)23-13(19)4;/h6-9H,5,10H2,1-4H3;1H