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

Systemtic Name: pentyl 2-(6-bromanyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C14H16BrNO3S MolecularWeight: 358.25074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO3S/c1-2-3-4-7-19-13(17)9-16-11-6-5-10(15)8-12(11)20-14(16)18/h5-6,8H,2-4,7,9H2,1H3