2-[(4-bromanyl-6-fluoranyl-5-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-6-fluoranyl-5-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-bromo-6-fluoro-5-morpholino-1H-benzimidazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[[4-bromo-6-fluoro-5-(4-morpholinyl)-1H-benzimidazol-2-yl]thio]acetic acid IUPAC Name: 2-[(4-bromo-6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-bromo-6-fluoro-5-morpholino-1H-benzimidazol-2-yl)thio]acetic acid Formula: C13H13BrFN3O3S MolecularWeight: 390.228023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C(=C2Br)N=C(N3)SCC(=O)O)F

Isomeric SMILES

C1COCCN1C2=C(C=C3C(=C2Br)N=C(N3)SCC(=O)O)F

InChI

InChI=1S/C13H13BrFN3O3S/c14-10-11-8(16-13(17-11)22-6-9(19)20)5-7(15)12(10)18-1-3-21-4-2-18/h5H,1-4,6H2,(H,16,17)(H,19,20)