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

Systemtic Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3,4-diethoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C33H34N2O7S MolecularWeight: 602.69726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H34N2O7S/c1-5-17-42-22-12-9-20(10-13-22)30(36)28-29(21-11-16-25(40-7-3)26(18-21)41-8-4)35(32(38)31(28)37)33-34-24-15-14-23(39-6-2)19-27(24)43-33/h9-16,18-19,29,36H,5-8,17H2,1-4H3/b30-28+