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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)Br)C

Isomeric SMILES

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

InChI

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