(4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(2,3-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C27H21FN2O6S MolecularWeight: 520.528843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=C(C(=CC=C5)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C3=O)C5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C27H21FN2O6S/c1-34-16-11-12-18-20(13-16)37-27(29-18)30-22(17-5-4-6-19(35-2)25(17)36-3)21(24(32)26(30)33)23(31)14-7-9-15(28)10-8-14/h4-13,22,31H,1-3H3/b23-21+