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

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-pentoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-pentoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C32H33N3O5S MolecularWeight: 571.68652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C)OCC

InChI

InChI=1S/C32H33N3O5S/c1-5-7-8-15-40-23-10-9-22(18-24(23)39-6-2)28-26(29(36)21-11-13-33-14-12-21)30(37)31(38)35(28)32-34-27-20(4)16-19(3)17-25(27)41-32/h9-14,16-18,28,36H,5-8,15H2,1-4H3/b29-26+