ethyl 5-bromanyl-3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C27H23BrN2O4S MolecularWeight: 551.45152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(OC5=C4C=C(C=C5)Br)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(OC5=C4C=C(C=C5)Br)C(=O)OCC

InChI

InChI=1S/C27H23BrN2O4S/c1-3-32-19-12-10-18(11-13-19)30-23-8-6-5-7-22(23)29-27(30)35-16-21-20-15-17(28)9-14-24(20)34-25(21)26(31)33-4-2/h5-15H,3-4,16H2,1-2H3