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

Systemtic Name: (4E)-5-(4-bromophenyl)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C27H21BrN2O4S MolecularWeight: 549.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=C(C=C4)OC)C)O)C(=O)C3=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC(=C(C=C4)OC)C)\O)/C(=O)C3=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN2O4S/c1-14-4-10-19-21(12-14)35-27(29-19)30-23(16-5-8-18(28)9-6-16)22(25(32)26(30)33)24(31)17-7-11-20(34-3)15(2)13-17/h4-13,23,31H,1-3H3/b24-22+