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

Systemtic Name: 4-[(5Z)-5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-5-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C22H20BrNO5S2 MolecularWeight: 522.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5S2/c1-28-17-11-15(10-16(23)20(17)29-13-14-6-3-2-4-7-14)12-18-21(27)24(22(30)31-18)9-5-8-19(25)26/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,25,26)/b18-12-