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

Systemtic Name: 3-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5Z)-5-[(3-methoxy-4-octoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5Z)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5Z)-4-keto-5-(3-methoxy-4-octoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C26H29NO5S2 MolecularWeight: 499.64216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C26H29NO5S2/c1-3-4-5-6-7-8-14-32-21-13-12-18(15-22(21)31-2)16-23-24(28)27(26(33)34-23)20-11-9-10-19(17-20)25(29)30/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,30)/b23-16-