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

Systemtic Name: 4-[(5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H21NO5S2/c1-3-4-11-28-17-10-5-14(12-18(17)27-2)13-19-20(24)23(22(29)30-19)16-8-6-15(7-9-16)21(25)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26)/b19-13-