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

Systemtic Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-iodophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-iodophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(m-phenetyl)methylene]-5-(4-iodophenyl)pyrrolidine-2,3-quinone Formula: C28H23IN2O4S MolecularWeight: 610.46269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)I)O

Isomeric SMILES

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)I)/O

InChI

InChI=1S/C28H23IN2O4S/c1-4-35-20-7-5-6-18(14-20)25(32)22-24(17-8-10-19(29)11-9-17)31(27(34)26(22)33)28-30-23-16(3)12-15(2)13-21(23)36-28/h5-14,24,32H,4H2,1-3H3/b25-22+