(4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCO3)O)C(=O)C1=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCO3)\O)/C(=O)C1=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S/c1-22(2)8-4-9-23-18(16-5-3-10-29-16)17(20(25)21(23)26)19(24)13-6-7-14-15(11-13)28-12-27-14/h3,5-7,10-11,18,24H,4,8-9,12H2,1-2H3/b19-17+