[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H19N3O6S/c24-16(22-20(28)21-9-7-13-4-3-11-30-13)12-29-17(25)8-10-23-18(26)14-5-1-2-6-15(14)19(23)27/h1-6,11H,7-10,12H2,(H2,21,22,24,28)