dimethyl 2-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C22H20N4O5S/c1-30-20(28)14-8-9-15(21(29)31-2)17(12-14)24-19(27)13-32-22-25-16-6-3-4-7-18(16)26(22)11-5-10-23/h3-4,6-9,12H,5,11,13H2,1-2H3,(H,24,27)