(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C25H20N2O5S2 MolecularWeight: 492.5667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=CS5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)OC)\O)/C(=O)C3=O)C5=CC=CS5

InChI

InChI=1S/C25H20N2O5S2/c1-3-32-16-10-11-17-19(13-16)34-25(26-17)27-21(18-5-4-12-33-18)20(23(29)24(27)30)22(28)14-6-8-15(31-2)9-7-14/h4-13,21,28H,3H2,1-2H3/b22-20+