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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-bromanylbutanoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-bromobutanoate CAS Name: 2-bromobutanoic 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-bromobutanoate Traditional Name: 2-bromobutyric acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C14H17BrN2O4S MolecularWeight: 389.26478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O4S/c1-2-11(15)14(18)21-9-5-8-16-13-10-6-3-4-7-12(10)22(19,20)17-13/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,16,17)