ethyl 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H26N2O3S/c1-4-33-28(32)27-23(22-7-5-6-8-24(22)34-27)17-35-29-30-25(20-13-9-18(2)10-14-20)26(31-29)21-15-11-19(3)12-16-21/h5-16H,4,17H2,1-3H3,(H,30,31)