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

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C28H25N3O4S MolecularWeight: 499.5808

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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(C=C(C=C5S4)C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C28H25N3O4S/c1-4-12-35-20-7-5-6-19(15-20)24-22(25(32)18-8-10-29-11-9-18)26(33)27(34)31(24)28-30-23-17(3)13-16(2)14-21(23)36-28/h5-11,13-15,24,32H,4,12H2,1-3H3/b25-22+