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

Systemtic Name: ethyl 2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6S/c1-3-35-24(31)17-8-4-5-9-18(17)26-23(30)15-36-25-27-19-14-16(29(32)33)12-13-20(19)28(25)21-10-6-7-11-22(21)34-2/h4-14H,3,15H2,1-2H3,(H,26,30)