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

Systemtic Name: (4E)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-phenylmethoxy-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-benzyloxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C32H24ClN3O5S MolecularWeight: 598.06806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C32H24ClN3O5S/c1-2-40-25-16-21(8-11-24(25)41-18-19-6-4-3-5-7-19)28-27(29(37)20-12-14-34-15-13-20)30(38)31(39)36(28)32-35-23-10-9-22(33)17-26(23)42-32/h3-17,28,37H,2,18H2,1H3/b29-27+