ethyl 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]coumarilic acid ethyl ester Formula: C26H21ClN2O3S MolecularWeight: 476.97454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C26H21ClN2O3S/c1-2-31-25(30)24-20(19-10-6-7-11-23(19)32-24)16-33-26-28-21-14-18(27)12-13-22(21)29(26)15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3