(4E)-1-(4,6-dimethyl-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-(4,6-dimethyl-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-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-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-benzoxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C34H29N3O5S MolecularWeight: 591.67616

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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(C=C(C=C5S4)C)C)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(C=C(C=C5S4)C)C)OCC6=CC=CC=C6

InChI

InChI=1S/C34H29N3O5S/c1-4-41-26-18-24(10-11-25(26)42-19-22-8-6-5-7-9-22)30-28(31(38)23-12-14-35-15-13-23)32(39)33(40)37(30)34-36-29-21(3)16-20(2)17-27(29)43-34/h5-18,30,38H,4,19H2,1-3H3/b31-28+