5-[5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[5-[(4-tert-butylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[5-(4-tert-butylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]isophthalic acid Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5S2/c1-22(2,3)15-6-4-12(5-7-15)8-17-18(24)23(21(29)30-17)16-10-13(19(25)26)9-14(11-16)20(27)28/h4-11H,1-3H3,(H,25,26)(H,27,28)