tert-butyl 7-bromanyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-2-carboxylate

Systemtic Name: tert-butyl 7-bromanyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-2-carboxylate Openeye Name: tert-butyl 7-bromo-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylate CAS Name: 7-bromo-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-bromo-1,1-dioxo-3H-1,2-benzothiazole-2-carboxylate Traditional Name: 7-bromo-1,1-diketo-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(S1(=O)=O)C(=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(S1(=O)=O)C(=CC=C2)Br

InChI

InChI=1S/C12H14BrNO4S/c1-12(2,3)18-11(15)14-7-8-5-4-6-9(13)10(8)19(14,16)17/h4-6H,7H2,1-3H3