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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic 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-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N5O4/c1-13(23-21(29)24-14-7-3-2-4-8-14)20(28)30-12-18(27)15(11-22)19-25-16-9-5-6-10-17(16)26-19/h2-10,13,25-26H,12H2,1H3,(H2,23,24,29)/t13-/m0/s1