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

Systemtic Name: (4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(m-phenetyl)methylene]pyrrolidine-2,3-quinone Formula: C29H25BrN2O6S MolecularWeight: 609.4876

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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)Br)O)OC)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)Br)O)OC)/O

InChI

InChI=1S/C29H25BrN2O6S/c1-5-38-18-8-6-7-16(11-18)25(33)22-24(17-12-19(30)26(34)20(13-17)37-4)32(28(36)27(22)35)29-31-23-15(3)9-14(2)10-21(23)39-29/h6-13,24,33-34H,5H2,1-4H3/b25-22+