ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxidanylidene-ethyl]-2-azanyl-1,3-thiazol-3-ium-4-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxidanylidene-ethyl]-2-azanyl-1,3-thiazol-3-ium-4-yl]ethanoate bromide Openeye Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxo-ethyl]-2-amino-thiazol-3-ium-4-yl]acetate bromide CAS Name: 2-[3-[2-(3-acetamidophenyl)-2-oxoethyl]-2-amino-4-thiazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxoethyl]-2-amino-1,3-thiazol-3-ium-4-yl]acetate bromide Traditional Name: 2-[3-[2-(3-acetamidophenyl)-2-keto-ethyl]-2-amino-thiazol-3-ium-4-yl]acetic acid ethyl ester bromide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)NC(=O)C)N.[Br-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)NC(=O)C)N.[Br-]

InChI

InChI=1S/C17H19N3O4S.BrH/c1-3-24-16(23)8-14-10-25-17(18)20(14)9-15(22)12-5-4-6-13(7-12)19-11(2)21;/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,21);1H