3-[(5Z)-5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5Z)-5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C21H18BrNO5S2 MolecularWeight: 508.40532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5S2/c1-27-16-10-14(9-15(22)19(16)28-12-13-5-3-2-4-6-13)11-17-20(26)23(21(29)30-17)8-7-18(24)25/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)/b17-11-