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

Systemtic Name: 4-[oxidanyl-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-thiazol-2-yl-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-thiazolyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-thiazol-2-yl-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C21H16N2O4S2 MolecularWeight: 424.49274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CS3)C4=CC=CS4)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=CS3)C4=CC=CS4)O

InChI

InChI=1S/C21H16N2O4S2/c1-2-10-27-14-7-5-13(6-8-14)18(24)16-17(15-4-3-11-28-15)23(20(26)19(16)25)21-22-9-12-29-21/h2-9,11-12,17,24H,1,10H2