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

Systemtic Name: 6-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O)OC

InChI

InChI=1S/C21H27NO5S2/c1-3-4-12-27-16-10-9-15(13-17(16)26-2)14-18-20(25)22(21(28)29-18)11-7-5-6-8-19(23)24/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,23,24)/b18-14+