1,3-bis(oxidanylidene)-2-[3-(thiophen-2-ylcarbonylamino)phenyl]isoindole-5-carboxylate

Systemtic Name: 1,3-bis(oxidanylidene)-2-[3-(thiophen-2-ylcarbonylamino)phenyl]isoindole-5-carboxylate Openeye Name: 1,3-dioxo-2-[3-(thiophene-2-carbonylamino)phenyl]isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[3-(2-thenoylamino)phenyl]isoindoline-5-carboxylate Formula: C20H11N2O5S- MolecularWeight: 391.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H12N2O5S/c23-17(16-5-2-8-28-16)21-12-3-1-4-13(10-12)22-18(24)14-7-6-11(20(26)27)9-15(14)19(22)25/h1-10H,(H,21,23)(H,26,27)/p-1