(4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Systemtic Name: (4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Openeye Name: (4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione CAS Name: (4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione IUPAC Name: (4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione Traditional Name: (4Z)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C27H19BrN2O5S MolecularWeight: 563.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(\C4=CC5=C(C=C4)OCCO5)/O)/C(=O)C3=O)C6=CC(=CC=C6)Br

InChI

InChI=1S/C27H19BrN2O5S/c1-14-5-7-18-21(11-14)36-27(29-18)30-23(15-3-2-4-17(28)12-15)22(25(32)26(30)33)24(31)16-6-8-19-20(13-16)35-10-9-34-19/h2-8,11-13,23,31H,9-10H2,1H3/b24-22-