5-[(5Z)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5Z)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5Z)-5-[(4-isopropylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5Z)-5-(4-isopropylbenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]isophthalic acid Formula: C21H17NO5S2 MolecularWeight: 427.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17NO5S2/c1-11(2)13-5-3-12(4-6-13)7-17-18(23)22(21(28)29-17)16-9-14(19(24)25)8-15(10-16)20(26)27/h3-11H,1-2H3,(H,24,25)(H,26,27)/b17-7-