(2S)-2-[6-nitro-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-benzimidazol-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[6-nitro-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-benzimidazol-1-yl]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[2-[(1R)-2-hydroxy-2-oxo-1-phenyl-ethyl]sulfanyl-6-nitro-benzimidazol-1-yl]-2-phenyl-acetic acid CAS Name: (2S)-2-[2-[[(1R)-2-hydroxy-2-oxo-1-phenylethyl]thio]-6-nitro-1-benzimidazolyl]-2-phenylacetic acid IUPAC Name: (2S)-2-[2-[(1R)-2-hydroxy-2-oxo-1-phenylethyl]sulfanyl-6-nitrobenzimidazol-1-yl]-2-phenylacetic acid Traditional Name: (2S)-2-[2-[[(1R)-2-hydroxy-2-keto-1-phenyl-ethyl]thio]-6-nitro-benzimidazol-1-yl]-2-phenyl-acetic acid Formula: C23H17N3O6S MolecularWeight: 463.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2SC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)O)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2S[C@H](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H17N3O6S/c27-21(28)19(14-7-3-1-4-8-14)25-18-13-16(26(31)32)11-12-17(18)24-23(25)33-20(22(29)30)15-9-5-2-6-10-15/h1-13,19-20H,(H,27,28)(H,29,30)/t19-,20+/m0/s1