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

Systemtic Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(p-phenetyl)methylene]pyrrolidine-2,3-quinone Formula: C28H23BrN2O4S MolecularWeight: 563.46222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23BrN2O4S/c1-4-35-20-10-8-17(9-11-20)25(32)22-24(18-6-5-7-19(29)14-18)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+