ethyl 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O6S/c1-3-34-25(30)24-18(17-8-4-6-10-22(17)35-24)15-36-26-27-19-14-16(29(31)32)12-13-20(19)28(26)21-9-5-7-11-23(21)33-2/h4-14H,3,15H2,1-2H3