(4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: (4E)-4-[(5-bromo-2-thiophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(5-bromothiophen-2-yl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-2-p-anisyl-isoquinoline-1,3-quinone Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CC4=CC=C(S4)Br)C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C\C4=CC=C(S4)Br)/C2=O

InChI

InChI=1S/C22H16BrNO3S/c1-27-15-8-6-14(7-9-15)13-24-21(25)18-5-3-2-4-17(18)19(22(24)26)12-16-10-11-20(23)28-16/h2-12H,13H2,1H3/b19-12+