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

Systemtic Name: dipropyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dipropyl 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 dipropyl ester IUPAC Name: dipropyl 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 dipropyl ester Formula: C16H18BrNO5S MolecularWeight: 416.28682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)OCCC)N1C2=C(C=C(C=C2)Br)SC1=O

Isomeric SMILES

CCCOC(=O)C(C(=O)OCCC)N1C2=C(C=C(C=C2)Br)SC1=O

InChI

InChI=1S/C16H18BrNO5S/c1-3-7-22-14(19)13(15(20)23-8-4-2)18-11-6-5-10(17)9-12(11)24-16(18)21/h5-6,9,13H,3-4,7-8H2,1-2H3