[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O5S/c27-21(17-8-6-16(7-9-17)15-4-2-1-3-5-15)13-31-22(28)14-32-23-24-19-11-10-18(26(29)30)12-20(19)25-23/h1-12H,13-14H2,(H,24,25)