[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H17ClN4O5S MolecularWeight: 496.92288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O5S/c24-15-9-10-19(20(11-15)28(31)32)25-21(29)12-33-22(30)16-6-2-1-5-14(16)13-34-23-26-17-7-3-4-8-18(17)27-23/h1-11H,12-13H2,(H,25,29)(H,26,27)