(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)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-(3-methylbutoxy)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-isopentyloxy-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-(3-methylbutoxy)phenyl]-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-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-isoamoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C32H33N3O5S MolecularWeight: 571.68652

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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)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(C=C(C=C5S4)C)C)OCCC(C)C

InChI

InChI=1S/C32H33N3O5S/c1-6-39-24-17-22(7-8-23(24)40-14-11-18(2)3)28-26(29(36)21-9-12-33-13-10-21)30(37)31(38)35(28)32-34-27-20(5)15-19(4)16-25(27)41-32/h7-10,12-13,15-18,28,36H,6,11,14H2,1-5H3/b29-26+