(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H13BrFNO2S MolecularWeight: 394.258023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFNO2S/c18-12-6-5-11(13(19)9-12)10-22-17(21)8-7-16-20-14-3-1-2-4-15(14)23-16/h1-6,9H,7-8,10H2