6-[(5E)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C25H35NO5S2 MolecularWeight: 493.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO5S2/c1-3-4-5-6-7-11-16-31-20-14-13-19(17-21(20)30-2)18-22-24(29)26(25(32)33-22)15-10-8-9-12-23(27)28/h13-14,17-18H,3-12,15-16H2,1-2H3,(H,27,28)/b22-18+