(4E)-5-(4-butoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(4-butoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C32H32N2O5S MolecularWeight: 556.67188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCCC)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C32H32N2O5S/c1-4-6-18-39-24-12-8-21(9-13-24)28-27(29(35)22-10-14-23(15-11-22)38-17-5-2)30(36)31(37)34(28)32-33-25-16-7-20(3)19-26(25)40-32/h7-16,19,28,35H,4-6,17-18H2,1-3H3/b29-27+