2-azanyl-3-(4-bromanyl-3-oxidanylidene-1,2-thiazol-5-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-bromanyl-3-oxidanylidene-1,2-thiazol-5-yl)propanoic acid Openeye Name: 2-amino-3-(4-bromo-3-oxo-isothiazol-5-yl)propanoic acid CAS Name: 2-amino-3-(4-bromo-3-oxo-5-isothiazolyl)propanoic acid IUPAC Name: 2-amino-3-(4-bromo-3-oxo-1,2-thiazol-5-yl)propanoic acid Traditional Name: 2-amino-3-(4-bromo-3-keto-4-isothiazolin-5-yl)propionic acid Formula: C6H7BrN2O3S MolecularWeight: 267.10038

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=O)NS1)Br)C(C(=O)O)N

Isomeric SMILES

C(C1=C(C(=O)NS1)Br)C(C(=O)O)N

InChI

InChI=1S/C6H7BrN2O3S/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)