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

Systemtic Name: 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid CAS Name: 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid IUPAC Name: 2-[(5E)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid Traditional Name: 2-[(5E)-4-keto-5-(3-methoxy-4-propargyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid Formula: C22H17NO5S2 MolecularWeight: 439.50408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)OCC#C

InChI

InChI=1S/C22H17NO5S2/c1-3-11-28-16-10-9-14(12-17(16)27-2)13-18-20(24)23(22(29)30-18)19(21(25)26)15-7-5-4-6-8-15/h1,4-10,12-13,19H,11H2,2H3,(H,25,26)/b18-13+