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

Systemtic Name: 3-[5-[(4-butoxy-3-ethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(4-butoxy-3-ethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(4-butoxy-3-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(4-butoxy-3-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[5-(4-butoxy-3-ethoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C23H23NO5S2 MolecularWeight: 457.56242

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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=CC(=C3)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S2/c1-3-5-11-29-18-10-9-15(12-19(18)28-4-2)13-20-21(25)24(23(30)31-20)17-8-6-7-16(14-17)22(26)27/h6-10,12-14H,3-5,11H2,1-2H3,(H,26,27)