[(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1S)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C21H19N3O5/c1-13(20(27)15-3-7-17(8-4-15)23-14(2)25)29-21(28)16-5-9-18(10-6-16)24-19(26)11-12-22/h3-10,13H,11H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1