3-[(5E)-5-[(6-methoxyquinolin-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[(5E)-5-[(6-methoxyquinolin-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(6-methoxy-2-quinolyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(6-methoxy-2-quinolinyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(6-methoxyquinolin-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-4-keto-5-[(6-methoxy-2-quinolyl)methylene]-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H14N2O4S2 MolecularWeight: 422.47686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14N2O4S2/c1-27-16-7-8-17-12(10-16)5-6-14(22-17)11-18-19(24)23(21(28)29-18)15-4-2-3-13(9-15)20(25)26/h2-11H,1H3,(H,25,26)/b18-11+