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

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N2O5S/c25-19(11-12-24-21(27)16-4-1-2-5-17(16)22(24)28)29-15-9-7-14(8-10-15)23-20(26)18-6-3-13-30-18/h1-10,13H,11-12H2,(H,23,26)