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

Systemtic Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-[oxidanyl-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-propoxyphenyl)methylene]-5-(4-methoxyphenyl)pyrrolidine-2,3-quinone Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)OC)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)OC)/O

InChI

InChI=1S/C30H28N2O6S/c1-4-15-38-21-8-6-7-19(16-21)27(33)25-26(18-9-11-20(36-3)12-10-18)32(29(35)28(25)34)30-31-23-14-13-22(37-5-2)17-24(23)39-30/h6-14,16-17,26,33H,4-5,15H2,1-3H3/b27-25+