[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C19H21N3O6/c1-5-8-22-16(24)13-7-6-12(9-14(13)17(22)25)18(26)28-11(4)15(23)21-19(27)20-10(2)3/h5-7,9-11H,1,8H2,2-4H3,(H2,20,21,23,27)/t11-/m0/s1