ethyl 4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)C)C

InChI

InChI=1S/C21H22N4O3S/c1-4-28-20(27)19-14(3)23-13(2)18(19)17(26)12-29-21-24-15-8-5-6-9-16(15)25(21)11-7-10-22/h5-6,8-9,23H,4,7,11-12H2,1-3H3