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

Systemtic Name: 2-[3-[5-(4-bromanyl-3-methoxy-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[5-(4-bromo-3-methoxy-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[5-(4-bromo-3-methoxy-2-thiophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[5-(4-bromo-3-methoxythiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[5-(4-bromo-3-methoxy-2-thienyl)-2-keto-1,3,4-oxadiazol-3-yl]propyl]isoindoline-1,3-quinone Formula: C18H14BrN3O5S MolecularWeight: 464.28986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(SC=C1Br)C2=NN(C(=O)O2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H14BrN3O5S/c1-26-13-12(19)9-28-14(13)15-20-22(18(25)27-15)8-4-7-21-16(23)10-5-2-3-6-11(10)17(21)24/h2-3,5-6,9H,4,7-8H2,1H3