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

Systemtic Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-ethoxy-4-isoamoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C31H31N3O6S MolecularWeight: 573.65934

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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)OC)OCCC(C)C

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)OC)OCCC(C)C

InChI

InChI=1S/C31H31N3O6S/c1-5-39-24-16-20(6-9-23(24)40-15-12-18(2)3)27-26(28(35)19-10-13-32-14-11-19)29(36)30(37)34(27)31-33-22-8-7-21(38-4)17-25(22)41-31/h6-11,13-14,16-18,27,35H,5,12,15H2,1-4H3/b28-26+