2-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 2-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5E)-5-[(4-octoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5E)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5E)-4-keto-5-(4-octoxybenzylidene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H27NO4S2 MolecularWeight: 421.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C(C)C(=O)O

InChI

InChI=1S/C21H27NO4S2/c1-3-4-5-6-7-8-13-26-17-11-9-16(10-12-17)14-18-19(23)22(21(27)28-18)15(2)20(24)25/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25)/b18-14+