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

Systemtic Name: bis(2-methylpropyl) 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: diisobutyl 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 bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 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 diisobutyl ester Formula: C18H22BrNO5S MolecularWeight: 444.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C(=O)OCC(C)C)N1C2=C(C=C(C=C2)Br)SC1=O

Isomeric SMILES

CC(C)COC(=O)C(C(=O)OCC(C)C)N1C2=C(C=C(C=C2)Br)SC1=O

InChI

InChI=1S/C18H22BrNO5S/c1-10(2)8-24-16(21)15(17(22)25-9-11(3)4)20-13-6-5-12(19)7-14(13)26-18(20)23/h5-7,10-11,15H,8-9H2,1-4H3