(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-phenethyl-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-phenethyl-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-phenethyl-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=CS4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=CS4)/O

InChI

InChI=1S/C27H27NO4S/c1-2-3-16-32-21-12-7-11-20(18-21)25(29)23-24(22-13-8-17-33-22)28(27(31)26(23)30)15-14-19-9-5-4-6-10-19/h4-13,17-18,24,29H,2-3,14-16H2,1H3/b25-23+