[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C13H18N2O4S/c1-6(2)10(11(16)15-13(14)18)19-12(17)9-5-7(3)20-8(9)4/h5-6,10H,1-4H3,(H3,14,15,16,18)