3-[5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[4-keto-5-(3-methoxy-4-propargyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H15NO5S2 MolecularWeight: 425.4775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O)OCC#C

InChI

InChI=1S/C21H15NO5S2/c1-3-9-27-16-8-7-13(10-17(16)26-2)11-18-19(23)22(21(28)29-18)15-6-4-5-14(12-15)20(24)25/h1,4-8,10-12H,9H2,2H3,(H,24,25)