(5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione

Systemtic Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (5S)-5-(4-bromophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxy-methylene]pyrrolidine-2,3-quinone Formula: C26H18BrFN2O3S MolecularWeight: 537.400123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H18BrFN2O3S/c1-2-14-3-12-19-20(13-14)34-26(29-19)30-22(15-4-8-17(27)9-5-15)21(24(32)25(30)33)23(31)16-6-10-18(28)11-7-16/h3-13,22,31H,2H2,1H3/t22-/m0/s1