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

Systemtic Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-ethoxy-4-isoamoxy-phenyl)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C33H34N2O6S MolecularWeight: 586.69786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)C)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)C)OCCC(C)C

InChI

InChI=1S/C33H34N2O6S/c1-6-40-26-18-22(10-14-25(26)41-16-15-19(2)3)29-28(30(36)21-8-11-23(39-5)12-9-21)31(37)32(38)35(29)33-34-24-13-7-20(4)17-27(24)42-33/h7-14,17-19,29,36H,6,15-16H2,1-5H3/b30-28+