(3Z,5S)-3-[1,1-bis(oxidanylidene)-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-5-tert-butyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione

Systemtic Name: (3Z,5S)-3-[1,1-bis(oxidanylidene)-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-5-tert-butyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione Openeye Name: (3Z,5S)-5-tert-butyl-3-[1,1-dioxo-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione CAS Name: (3Z,5S)-5-tert-butyl-3-[1,1-dioxo-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione IUPAC Name: (3Z,5S)-5-tert-butyl-3-[1,1-dioxo-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione Traditional Name: (3Z,5S)-5-tert-butyl-3-[1,1-diketo-7-(1H-pyrazol-4-yl)-1,2-benzothiazol-3-ylidene]-1-(4-fluorobenzyl)pyrrolidine-2,4-quinone Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)C(=C2C3=CC=CC(=C3S(=O)(=O)N2)C4=CNN=C4)C(=O)N1CC5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)[C@H]1C(=O)/C(=C/2\C3=CC=CC(=C3S(=O)(=O)N2)C4=CNN=C4)/C(=O)N1CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN4O4S/c1-25(2,3)23-21(31)19(24(32)30(23)13-14-7-9-16(26)10-8-14)20-18-6-4-5-17(15-11-27-28-12-15)22(18)35(33,34)29-20/h4-12,23,29H,13H2,1-3H3,(H,27,28)/b20-19-/t23-/m1/s1