[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H18ClN3O4 MolecularWeight: 327.76342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N)Cl)C

InChI

InChI=1S/C14H18ClN3O4/c1-6(2)10(12(19)18-14(16)21)22-13(20)9-7(3)5-8(4)17-11(9)15/h5-6,10H,1-4H3,(H3,16,18,19,21)/t10-/m0/s1