methyl 4-[[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C25H22N4O6S MolecularWeight: 506.53038

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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)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N4O6S/c1-34-22-6-4-3-5-21(22)28-20-12-11-18(29(32)33)13-19(20)27-25(28)36-15-23(30)26-14-16-7-9-17(10-8-16)24(31)35-2/h3-13H,14-15H2,1-2H3,(H,26,30)