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

Systemtic Name: (4E)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]-5-(4-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C26H20ClN3O4S MolecularWeight: 505.9727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClN3O4S/c1-2-13-34-18-6-3-15(4-7-18)22-21(23(31)16-9-11-28-12-10-16)24(32)25(33)30(22)26-29-19-8-5-17(27)14-20(19)35-26/h3-12,14,22,31H,2,13H2,1H3/b23-21+