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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 2-bromanylbenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 2-bromobenzoate CAS Name: 2-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 2-bromobenzoate Traditional Name: 2-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=CC=C3Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCOC(=O)C3=CC=CC=C3Br

InChI

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