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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(3-pyridinylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CS4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CS4)/O

InChI

InChI=1S/C25H24N2O4S/c1-2-3-12-31-19-9-4-8-18(14-19)23(28)21-22(20-10-6-13-32-20)27(25(30)24(21)29)16-17-7-5-11-26-15-17/h4-11,13-15,22,28H,2-3,12,16H2,1H3/b23-21+