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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-thiazol-2-yl-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(2-thiazolyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-thiazol-2-yl-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CS3)C4=CC=CS4)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CS3)C4=CC=CS4)/O

InChI

InChI=1S/C22H20N2O4S2/c1-2-3-10-28-15-7-4-6-14(13-15)19(25)17-18(16-8-5-11-29-16)24(21(27)20(17)26)22-23-9-12-30-22/h4-9,11-13,18,25H,2-3,10H2,1H3/b19-17+