(3Z,5S)-3-[1,1-bis(oxidanylidene)-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)-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-1,2-benzothiazol-3-ylidene)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione CAS Name: (3Z,5S)-5-tert-butyl-3-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione IUPAC Name: (3Z,5S)-5-tert-butyl-3-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione Traditional Name: (3Z,5S)-5-tert-butyl-3-(1,1-diketo-1,2-benzothiazol-3-ylidene)-1-(4-fluorobenzyl)pyrrolidine-2,4-quinone Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)C(=C2C3=CC=CC=C3S(=O)(=O)N2)C(=O)N1CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)[C@H]1C(=O)/C(=C/2\C3=CC=CC=C3S(=O)(=O)N2)/C(=O)N1CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O4S/c1-22(2,3)20-19(26)17(18-15-6-4-5-7-16(15)30(28,29)24-18)21(27)25(20)12-13-8-10-14(23)11-9-13/h4-11,20,24H,12H2,1-3H3/b18-17-/t20-/m1/s1