(4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethylidene)isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethylidene)isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(2-thienylmethylene)isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethylidene)isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethylidene)isoquinoline-1,3-dione Traditional Name: (4E)-2-piperonyl-4-(2-thenylidene)isoquinoline-1,3-quinone Formula: C22H15NO4S MolecularWeight: 389.4238

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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)C3=O

Isomeric SMILES

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

InChI

InChI=1S/C22H15NO4S/c24-21-17-6-2-1-5-16(17)18(11-15-4-3-9-28-15)22(25)23(21)12-14-7-8-19-20(10-14)27-13-26-19/h1-11H,12-13H2/b18-11+