(5R)-4-[(3-fluoranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (5R)-4-[(3-fluoranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (5R)-4-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (5R)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (5R)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (5R)-4-[(3-fluoro-4-methoxy-phenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=CS4)O)F

InChI

InChI=1S/C22H20FN3O4S/c1-30-16-6-5-14(12-15(16)23)20(27)18-19(17-4-2-11-31-17)26(22(29)21(18)28)9-3-8-25-10-7-24-13-25/h2,4-7,10-13,19,27H,3,8-9H2,1H3/t19-/m0/s1