[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-methylfuran-2-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-methylfuran-2-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5/c1-6(2)9(10(15)14-12(13)17)19-11(16)8-5-4-7(3)18-8/h4-6,9H,1-3H3,(H3,13,14,15,17)/t9-/m0/s1