3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-bromanylpropanoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-bromanylpropanoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-bromopropanoate CAS Name: 2-bromopropanoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-bromopropanoate Traditional Name: 2-bromopropionic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCNC1=NS(=O)(=O)C2=CC=CC=C21)Br

Isomeric SMILES

CC(C(=O)OCCCNC1=NS(=O)(=O)C2=CC=CC=C21)Br

InChI

InChI=1S/C13H15BrN2O4S/c1-9(14)13(17)20-8-4-7-15-12-10-5-2-3-6-11(10)21(18,19)16-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)