(4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C29H26ClN3O5S MolecularWeight: 564.05184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl)OCC

InChI

InChI=1S/C29H26ClN3O5S/c1-3-5-14-38-21-9-6-18(15-22(21)37-4-2)25-24(26(34)17-10-12-31-13-11-17)27(35)28(36)33(25)29-32-20-8-7-19(30)16-23(20)39-29/h6-13,15-16,25,34H,3-5,14H2,1-2H3/b26-24+