2-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-3-[2-(4-phenoxyphenoxy)thiazol-5-yl]prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(4-phenoxyphenoxy)-5-thiazolyl]but-3-yn-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-methyl-3-[2-(4-phenoxyphenoxy)thiazol-5-yl]prop-2-ynyl]isoindoline-1,3-quinone Formula: C27H18N2O4S MolecularWeight: 466.50782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CN=C(S1)OC2=CC=C(C=C2)OC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C#CC1=CN=C(S1)OC2=CC=C(C=C2)OC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H18N2O4S/c1-18(29-25(30)23-9-5-6-10-24(23)26(29)31)11-16-22-17-28-27(34-22)33-21-14-12-20(13-15-21)32-19-7-3-2-4-8-19/h2-10,12-15,17-18H,1H3