(4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C29H24BrFN2O6S MolecularWeight: 627.478063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C(=C5)Br)O)OC)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC(=C(C(=C5)Br)O)OC)/O

InChI

InChI=1S/C29H24BrFN2O6S/c1-3-4-10-39-18-7-5-6-15(11-18)25(34)23-24(16-12-19(30)26(35)21(13-16)38-2)33(28(37)27(23)36)29-32-20-9-8-17(31)14-22(20)40-29/h5-9,11-14,24,34-35H,3-4,10H2,1-2H3/b25-23+