2-[5-bromanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-thiophen-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-bromanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-thiophen-2-yl]isoindole-1,3-dione Openeye Name: 2-[5-bromo-3-(3,4,5-trimethoxybenzoyl)-2-thienyl]isoindoline-1,3-dione CAS Name: 2-[5-bromo-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-thiophenyl]isoindole-1,3-dione IUPAC Name: 2-[5-bromo-3-(3,4,5-trimethoxybenzoyl)thiophen-2-yl]isoindole-1,3-dione Traditional Name: 2-[5-bromo-3-(3,4,5-trimethoxybenzoyl)-2-thienyl]isoindoline-1,3-quinone Formula: C22H16BrNO6S MolecularWeight: 502.33454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(SC(=C2)Br)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(SC(=C2)Br)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16BrNO6S/c1-28-15-8-11(9-16(29-2)19(15)30-3)18(25)14-10-17(23)31-22(14)24-20(26)12-6-4-5-7-13(12)21(24)27/h4-10H,1-3H3