[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)O[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C13H17NO4/c1-5-6-14-12(15)10(4)18-13(16)11-7-8(2)17-9(11)3/h5,7,10H,1,6H2,2-4H3,(H,14,15)/t10-/m0/s1