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

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylthiophen-2-yl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thienyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-2-thiophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromothiophen-2-yl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[(4-bromo-2-thienyl)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C22H14BrNO4S MolecularWeight: 468.31986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC(=CS5)Br)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4/C(=C\C5=CC(=CS5)Br)/C3=O

InChI

InChI=1S/C22H14BrNO4S/c23-14-8-15(29-11-14)9-18-16-3-1-2-4-17(16)21(25)24(22(18)26)10-13-5-6-19-20(7-13)28-12-27-19/h1-9,11H,10,12H2/b18-9+