(2S)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoate Openeye Name: (2S)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]propanoate CAS Name: (2S)-2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methylthio]propanoate IUPAC Name: (2S)-2-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methylsulfanyl]propanoate Traditional Name: (2S)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylthio]propionate Formula: C17H13FN3O4S- MolecularWeight: 374.366223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O4S/c1-10(17(22)23)26-9-16-19-14-8-13(21(24)25)6-7-15(14)20(16)12-4-2-11(18)3-5-12/h2-8,10H,9H2,1H3,(H,22,23)/p-1/t10-/m0/s1