dimethyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: dimethyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dimethyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(6-bromo-2-keto-1,3-benzothiazol-3-yl)malonic acid dimethyl ester Formula: C12H10BrNO5S MolecularWeight: 360.1805

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)N1C2=C(C=C(C=C2)Br)SC1=O

Isomeric SMILES

COC(=O)C(C(=O)OC)N1C2=C(C=C(C=C2)Br)SC1=O

InChI

InChI=1S/C12H10BrNO5S/c1-18-10(15)9(11(16)19-2)14-7-4-3-6(13)5-8(7)20-12(14)17/h3-5,9H,1-2H3