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

Systemtic Name: 3-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5Z)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5Z)-5-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C24H17N3O4S2 MolecularWeight: 475.53948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C5C(=O)N(C(=S)S5)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C\5/C(=O)N(C(=S)S5)CCC(=O)O

InChI

InChI=1S/C24H17N3O4S2/c28-21(29)10-11-26-23(30)20(33-24(26)32)13-16-14-27(17-7-2-1-3-8-17)25-22(16)19-12-15-6-4-5-9-18(15)31-19/h1-9,12-14H,10-11H2,(H,28,29)/b20-13-