11-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-5-(3-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C21H26BrNO3S2 MolecularWeight: 484.47004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H26BrNO3S2/c22-17-11-9-10-16(14-17)15-18-20(26)23(21(27)28-18)13-8-6-4-2-1-3-5-7-12-19(24)25/h9-11,14-15H,1-8,12-13H2,(H,24,25)/b18-15+