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

Systemtic Name: 2-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5Z)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S2/c1-4-5-6-7-8-9-12-28-17-11-10-16(13-18(17)27-3)14-19-20(24)23(22(29)30-19)15(2)21(25)26/h10-11,13-15H,4-9,12H2,1-3H3,(H,25,26)/b19-14-