4-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-4-oxo-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C4C(=O)N(C(=S)S4)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/4\C(=O)N(C(=S)S4)CCCC(=O)O

InChI

InChI=1S/C21H17N3O3S3/c25-18(26)9-4-10-23-20(27)17(30-21(23)28)12-14-13-24(15-6-2-1-3-7-15)22-19(14)16-8-5-11-29-16/h1-3,5-8,11-13H,4,9-10H2,(H,25,26)/b17-12+