3-[1,3-bis(oxidanylidene)-5-(thiophen-2-ylcarbonylamino)isoindol-2-yl]propanoate

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(thiophen-2-ylcarbonylamino)isoindol-2-yl]propanoate Openeye Name: 3-[1,3-dioxo-5-(thiophene-2-carbonylamino)isoindolin-2-yl]propanoate CAS Name: 3-[1,3-dioxo-5-[[oxo(thiophen-2-yl)methyl]amino]-2-isoindolyl]propanoate IUPAC Name: 3-[1,3-dioxo-5-(thiophene-2-carbonylamino)isoindol-2-yl]propanoate Traditional Name: 3-[1,3-diketo-5-(2-thenoylamino)isoindolin-2-yl]propionate Formula: C16H11N2O5S- MolecularWeight: 343.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c19-13(20)5-6-18-15(22)10-4-3-9(8-11(10)16(18)23)17-14(21)12-2-1-7-24-12/h1-4,7-8H,5-6H2,(H,17,21)(H,19,20)/p-1