ethyl 2-azanyl-3-(3-bromanyl-2-oxidanylidene-propyl)-1,3-thiazol-3-ium-4-carboxylate

Systemtic Name: ethyl 2-azanyl-3-(3-bromanyl-2-oxidanylidene-propyl)-1,3-thiazol-3-ium-4-carboxylate Openeye Name: ethyl 2-amino-3-(3-bromo-2-oxo-propyl)thiazol-3-ium-4-carboxylate CAS Name: 2-amino-3-(3-bromo-2-oxopropyl)-4-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-(3-bromo-2-oxopropyl)-1,3-thiazol-3-ium-4-carboxylate Traditional Name: 2-amino-3-(3-bromo-2-keto-propyl)thiazol-3-ium-4-carboxylic acid ethyl ester Formula: C9H12BrN2O3S+ MolecularWeight: 308.17218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=[N+]1CC(=O)CBr)N

Isomeric SMILES

CCOC(=O)C1=CSC(=[N+]1CC(=O)CBr)N

InChI

InChI=1S/C9H11BrN2O3S/c1-2-15-8(14)7-5-16-9(11)12(7)4-6(13)3-10/h5,11H,2-4H2,1H3/p+1