(4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-1-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CS4

Isomeric SMILES

CCCCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC=CS4

InChI

InChI=1S/C21H21NO5S/c1-2-3-8-22-18(16-5-4-11-28-16)17(20(24)21(22)25)19(23)13-6-7-14-15(12-13)27-10-9-26-14/h4-7,11-12,18,23H,2-3,8-10H2,1H3/b19-17+