(E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanyl-2-fluoranyl-phenyl)hex-5-enoic acid

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromanyl-2-fluoranyl-phenyl)hex-5-enoic acid Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-fluoro-phenyl)hex-5-enoic acid CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-fluorophenyl)-5-hexenoic acid IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-fluorophenyl)hex-5-enoic acid Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-bromo-2-fluoro-phenyl)hex-5-enoic acid Formula: C19H15BrFNO2S MolecularWeight: 420.295303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=C(C=CC(=C3)Br)F)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=C(C=CC(=C3)Br)F)/CCCC(=O)O

InChI

InChI=1S/C19H15BrFNO2S/c20-14-8-9-15(21)13(11-14)10-12(4-3-7-18(23)24)19-22-16-5-1-2-6-17(16)25-19/h1-2,5-6,8-11H,3-4,7H2,(H,23,24)/b12-10+