5-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5E)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5E)-4-oxo-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(5E)-4-oxo-5-(3-pyridinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5E)-4-keto-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]isophthalic acid Formula: C17H10N2O5S2 MolecularWeight: 386.4017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N2O5S2/c20-14-13(4-9-2-1-3-18-8-9)26-17(25)19(14)12-6-10(15(21)22)5-11(7-12)16(23)24/h1-8H,(H,21,22)(H,23,24)/b13-4+