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

Systemtic Name: (4E)-5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-butoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(m-phenetyl)methylene]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(=CC=C3)OCC)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C

InChI

InChI=1S/C32H32N2O5S/c1-5-7-15-39-23-13-11-21(12-14-23)28-26(29(35)22-9-8-10-24(18-22)38-6-2)30(36)31(37)34(28)32-33-27-20(4)16-19(3)17-25(27)40-32/h8-14,16-18,28,35H,5-7,15H2,1-4H3/b29-26+