tert-butyl 3-(5-bromanyl-1,3-benzothiazol-2-yl)propanoate

Systemtic Name: tert-butyl 3-(5-bromanyl-1,3-benzothiazol-2-yl)propanoate Openeye Name: tert-butyl 3-(5-bromo-1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-bromo-1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(5-bromo-1,3-benzothiazol-2-yl)propionic acid tert-butyl ester Formula: C14H16BrNO2S MolecularWeight: 342.25134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=NC2=C(S1)C=CC(=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=NC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C14H16BrNO2S/c1-14(2,3)18-13(17)7-6-12-16-10-8-9(15)4-5-11(10)19-12/h4-5,8H,6-7H2,1-3H3