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

Systemtic Name: 2-[4-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]but-2-ynyl]isoindoline-1,3-quinone Formula: C19H12BrN3O5S MolecularWeight: 474.28468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O5S/c1-27-14-13(20)10-29-15(14)16-21-23(19(26)28-16)9-5-4-8-22-17(24)11-6-2-3-7-12(11)18(22)25/h2-3,6-7,10H,8-9H2,1H3