2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-keto-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-quinone Formula: C22H18N4O6S2 MolecularWeight: 498.53152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H18N4O6S2/c1-34(30,31)16-13-33-18(17(16)24-9-4-5-10-24)19-23-26(22(29)32-19)12-6-11-25-20(27)14-7-2-3-8-15(14)21(25)28/h2-5,7-10,13H,6,11-12H2,1H3