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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6S/c1-5(2)8(9(15)13-11(12)17)20-10(16)6-3-4-7(21-6)14(18)19/h3-5,8H,1-2H3,(H3,12,13,15,17)/t8-/m0/s1