3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-bromanylbenzoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-bromanylbenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 4-bromobenzoate CAS Name: 4-bromobenzoic 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 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O4S/c18-13-8-6-12(7-9-13)17(21)24-11-3-10-19-16-14-4-1-2-5-15(14)25(22,23)20-16/h1-2,4-9H,3,10-11H2,(H,19,20)