1-[3-(diethylamino)propyl]-4-[(3-fluoranyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-[3-(diethylamino)propyl]-4-[(3-fluoranyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 1-[3-(diethylamino)propyl]-4-[(3-fluoro-4-isopropoxy-phenyl)-hydroxy-methylene]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 1-[3-(diethylamino)propyl]-4-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 1-[3-(diethylamino)propyl]-4-[(3-fluoro-4-propan-2-yloxyphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 1-[3-(diethylamino)propyl]-4-[(3-fluoro-4-isopropoxy-phenyl)-hydroxy-methylene]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C25H31FN2O4S MolecularWeight: 474.588043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC(C)C)F)O)C(=O)C1=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OC(C)C)F)O)C(=O)C1=O)C3=CC=CS3

InChI

InChI=1S/C25H31FN2O4S/c1-5-27(6-2)12-8-13-28-22(20-9-7-14-33-20)21(24(30)25(28)31)23(29)17-10-11-19(18(26)15-17)32-16(3)4/h7,9-11,14-16,22,29H,5-6,8,12-13H2,1-4H3