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

Systemtic Name: (4E)-4-[oxidanyl-(3-propoxyphenyl)methylidene]-1-phenethyl-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-phenethyl-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-phenethyl-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-phenethyl-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-phenethyl-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=CS4)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC3=CC=CC=C3)C4=CC=CS4)/O

InChI

InChI=1S/C26H25NO4S/c1-2-15-31-20-11-6-10-19(17-20)24(28)22-23(21-12-7-16-32-21)27(26(30)25(22)29)14-13-18-8-4-3-5-9-18/h3-12,16-17,23,28H,2,13-15H2,1H3/b24-22+