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

Systemtic Name: 11-[(5E)-5-[(4-methanoylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-5-[(4-formylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-5-(4-formylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)C=O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S2/c24-16-18-12-10-17(11-13-18)15-19-21(27)23(22(28)29-19)14-8-6-4-2-1-3-5-7-9-20(25)26/h10-13,15-16H,1-9,14H2,(H,25,26)/b19-15+