(4-bromanyl-2-fluoranyl-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4-bromo-2-fluoro-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4-bromo-2-fluoro-phenyl) ester Formula: C17H13BrFNO2S2 MolecularWeight: 426.323023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFNO2S2/c18-11-7-8-14(12(19)10-11)22-16(21)6-3-9-23-17-20-13-4-1-2-5-15(13)24-17/h1-2,4-5,7-8,10H,3,6,9H2