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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-bromo-4-fluoro-phenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-bromo-4-fluoro-phenyl) ester Formula: C16H11BrFNO2S MolecularWeight: 380.231443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C16H11BrFNO2S/c17-11-9-10(18)5-6-13(11)21-16(20)8-7-15-19-12-3-1-2-4-14(12)22-15/h1-6,9H,7-8H2