methyl 4,5-dimethyl-2-(3-oxidanylidenebutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(3-oxidanylidenebutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(3-oxobutanoylamino)thiophene-3-carboxylate CAS Name: 2-(1,3-dioxobutylamino)-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(3-oxobutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(acetoacetylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC(=O)C)C

InChI

InChI=1S/C12H15NO4S/c1-6(14)5-9(15)13-11-10(12(16)17-4)7(2)8(3)18-11/h5H2,1-4H3,(H,13,15)