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

Systemtic Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(p-tolyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(p-tolyl)methylene]pyrrolidine-2,3-quinone Formula: C27H21BrN2O3S MolecularWeight: 533.43624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H21BrN2O3S/c1-14-7-9-17(10-8-14)24(31)21-23(18-5-4-6-19(28)13-18)30(26(33)25(21)32)27-29-22-16(3)11-15(2)12-20(22)34-27/h4-13,23,31H,1-3H3/b24-21+