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

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-allyloxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-allyloxyphenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C31H27FN2O5S MolecularWeight: 558.619883

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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)OCC=C)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)OCC=C)/O

InChI

InChI=1S/C31H27FN2O5S/c1-3-5-16-39-23-8-6-7-20(17-23)28(35)26-27(19-9-12-22(13-10-19)38-15-4-2)34(30(37)29(26)36)31-33-24-14-11-21(32)18-25(24)40-31/h4,6-14,17-18,27,35H,2-3,5,15-16H2,1H3/b28-26+