[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H18N2O5S/c22-16(20-11-13-5-4-10-27-13)12-26-17(23)8-3-9-21-18(24)14-6-1-2-7-15(14)19(21)25/h1-2,4-7,10H,3,8-9,11-12H2,(H,20,22)