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

Systemtic Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC

InChI

InChI=1S/C28H25N3O5S/c1-3-14-36-19-7-5-6-18(15-19)24-23(25(32)17-10-12-29-13-11-17)26(33)27(34)31(24)28-30-21-9-8-20(35-4-2)16-22(21)37-28/h5-13,15-16,24,32H,3-4,14H2,1-2H3/b25-23+