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

Systemtic Name: ethyl 3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(OC5=CC=CC=C54)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=C(OC5=CC=CC=C54)C(=O)OCC

InChI

InChI=1S/C27H24N2O4S/c1-3-31-19-15-13-18(14-16-19)29-23-11-7-6-10-22(23)28-27(29)34-17-21-20-9-5-8-12-24(20)33-25(21)26(30)32-4-2/h5-16H,3-4,17H2,1-2H3