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

Systemtic Name: 4-[5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[5-[[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[5-[[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[5-[[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S2/c1-3-33-20-11-12-21(17(2)14-20)24-18(16-29(27-24)19-8-5-4-6-9-19)15-22-25(32)28(26(34)35-22)13-7-10-23(30)31/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,30,31)