ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxo-3-propyl-benzimidazol-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(2-oxo-3-propyl-1-benzimidazolyl)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-keto-3-propyl-benzimidazol-1-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C21H22N4O5S/c1-3-9-24-15-7-5-6-8-16(15)25(21(24)28)11-17(26)30-12-14-13(10-22)19(23)31-18(14)20(27)29-4-2/h5-8H,3-4,9,11-12,23H2,1-2H3