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

Systemtic Name: (4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3,4-diethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C33H34N2O6S MolecularWeight: 586.69786

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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(C=C(C=C4S3)C)C)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(C=C(C=C4S3)C)C)C5=CC(=C(C=C5)OCC)OCC)/O

InChI

InChI=1S/C33H34N2O6S/c1-6-15-41-23-12-9-21(10-13-23)30(36)27-29(22-11-14-24(39-7-2)25(18-22)40-8-3)35(32(38)31(27)37)33-34-28-20(5)16-19(4)17-26(28)42-33/h9-14,16-18,29,36H,6-8,15H2,1-5H3/b30-27+