[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C11H13Br2NO3S MolecularWeight: 399.09882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(S1)Br)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(S1)Br)Br

InChI

InChI=1S/C11H13Br2NO3S/c1-6(2)4-14-9(15)5-17-11(16)8-3-7(12)10(13)18-8/h3,6H,4-5H2,1-2H3,(H,14,15)