[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)Br)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H20BrN3O5S/c21-15-4-1-3-14(11-15)19(27)22-12-18(26)29-13-17(25)23-6-8-24(9-7-23)20(28)16-5-2-10-30-16/h1-5,10-11H,6-9,12-13H2,(H,22,27)