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

Systemtic Name: ethyl 4-[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethanoylamino]benzoate bromide Openeye Name: ethyl 4-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]acetyl]amino]benzoate bromide CAS Name: 4-[[2-[5-(2-hydroxyethyl)-4-methyl-2-thiazol-3-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester bromide IUPAC Name: ethyl 4-[[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]acetyl]amino]benzoate bromide Traditional Name: 4-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]acetyl]amino]benzoic acid ethyl ester bromide Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=[NH+]C(=C(S2)CCO)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=[NH+]C(=C(S2)CCO)C.[Br-]

InChI

InChI=1S/C17H20N2O4S.BrH/c1-3-23-17(22)12-4-6-13(7-5-12)19-15(21)10-16-18-11(2)14(24-16)8-9-20;/h4-7,20H,3,8-10H2,1-2H3,(H,19,21);1H