[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C16H15Br2NO3S MolecularWeight: 461.1682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C16H15Br2NO3S/c1-9-5-3-4-6-11(9)10(2)19-14(20)8-22-16(21)13-7-12(17)15(18)23-13/h3-7,10H,8H2,1-2H3,(H,19,20)