[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3CC(=O)N(C3)C4CCCC4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)[C@H]3CC(=O)N(C3)C4CCCC4

InChI

InChI=1S/C22H24N4O4/c1-25-18-9-5-4-8-17(18)24-21(25)16(11-23)19(27)13-30-22(29)14-10-20(28)26(12-14)15-6-2-3-7-15/h4-5,8-9,14-15,24H,2-3,6-7,10,12-13H2,1H3/b21-16+/t14-/m0/s1