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

Systemtic Name: ethyl 3-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H19N3O3S/c1-2-27-21(26)20-16(15-8-3-6-11-19(15)28-20)14-29-22-24-17-9-4-5-10-18(17)25(22)13-7-12-23/h3-6,8-11H,2,7,13-14H2,1H3