(2R)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-phenylacetate IUPAC Name: (2R)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-phenyl-acetate Formula: C15H10N3O4S- MolecularWeight: 328.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c19-14(20)13(9-4-2-1-3-5-9)23-15-16-11-7-6-10(18(21)22)8-12(11)17-15/h1-8,13H,(H,16,17)(H,19,20)/p-1/t13-/m1/s1