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

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C17H15Br2NO4S MolecularWeight: 489.1783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C17H15Br2NO4S/c1-2-3-15(22)20-11-6-4-10(5-7-11)13(21)9-24-17(23)14-8-12(18)16(19)25-14/h4-8H,2-3,9H2,1H3,(H,20,22)