(4E)-4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-iodophenyl)pyrrolidine-2,3-quinone Formula: C26H18ClIN2O3S MolecularWeight: 600.85519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC=C(C=C5)I)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=C(C=C5)I)C

InChI

InChI=1S/C26H18ClIN2O3S/c1-13-11-14(2)21-19(12-13)34-26(29-21)30-22(15-5-9-18(28)10-6-15)20(24(32)25(30)33)23(31)16-3-7-17(27)8-4-16/h3-12,22,31H,1-2H3/b23-20+