4-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5Z)-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5Z)-5-[[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5Z)-4-keto-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C26H21N3O5S2 MolecularWeight: 519.59204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3/C=C\4/C(=O)N(C(=S)S4)CCCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O5S2/c1-33-19-10-5-7-16-13-20(34-24(16)19)23-17(15-29(27-23)18-8-3-2-4-9-18)14-21-25(32)28(26(35)36-21)12-6-11-22(30)31/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,30,31)/b21-14-