2-[2-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]ethyl]isoindoline-1,3-quinone Formula: C17H12BrN3O5S MolecularWeight: 450.26328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H12BrN3O5S/c1-25-12-11(18)8-27-13(12)14-19-21(17(24)26-14)7-6-20-15(22)9-4-2-3-5-10(9)16(20)23/h2-5,8H,6-7H2,1H3