(4E)-5-(4-butoxy-3-ethoxy-phenyl)-1-(6-methoxy-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-methoxy-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C30H29N3O6S MolecularWeight: 559.63276

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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)OC)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)OC)OCC

InChI

InChI=1S/C30H29N3O6S/c1-4-6-15-39-22-10-7-19(16-23(22)38-5-2)26-25(27(34)18-11-13-31-14-12-18)28(35)29(36)33(26)30-32-21-9-8-20(37-3)17-24(21)40-30/h7-14,16-17,26,34H,4-6,15H2,1-3H3/b27-25+