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

Systemtic Name: 5-[(5E)-5-[(1-methylpyrrol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5E)-5-[(1-methylpyrrol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(5E)-5-[(1-methyl-3-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5E)-5-[(1-methylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5E)-4-keto-5-[(1-methylpyrrol-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]isophthalic acid Formula: C17H12N2O5S2 MolecularWeight: 388.41758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN1C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O5S2/c1-18-3-2-9(8-18)4-13-14(20)19(17(25)26-13)12-6-10(15(21)22)5-11(7-12)16(23)24/h2-8H,1H3,(H,21,22)(H,23,24)/b13-4+