butyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: butyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: butyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid butyl ester IUPAC Name: butyl 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-bromo-2-keto-1,3-benzothiazol-3-yl)acetic acid butyl ester Formula: C13H14BrNO3S MolecularWeight: 344.22416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=O

Isomeric SMILES

CCCCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=O

InChI

InChI=1S/C13H14BrNO3S/c1-2-3-6-18-12(16)8-15-10-5-4-9(14)7-11(10)19-13(15)17/h4-5,7H,2-3,6,8H2,1H3