[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C20H16BrNO3S MolecularWeight: 430.31494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H16BrNO3S/c21-18-11-10-17(26-18)20(24)25-13-19(23)22-16-9-5-4-8-15(16)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,23)