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

Systemtic Name: methyl 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H19N3O5S/c1-30-21-6-4-3-5-20(21)25-19-12-11-17(26(28)29)13-18(19)24-23(25)32-14-15-7-9-16(10-8-15)22(27)31-2/h3-13H,14H2,1-2H3