[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-benzamidopropanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-benzamidopropanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4/c1-13(23-20(27)14-7-3-2-4-8-14)21(28)29-12-18(26)15(11-22)19-24-16-9-5-6-10-17(16)25-19/h2-10,13,24-25H,12H2,1H3,(H,23,27)/t13-/m0/s1