methyl 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H20N4O6S MolecularWeight: 492.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H20N4O6S/c1-33-21-10-6-5-9-20(21)27-19-12-11-15(28(31)32)13-18(19)26-24(27)35-14-22(29)25-17-8-4-3-7-16(17)23(30)34-2/h3-13H,14H2,1-2H3,(H,25,29)