11-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5E)-4-oxidanylidene-5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5E)-4-oxo-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5E)-4-keto-5-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C28H31N3O3S3 MolecularWeight: 553.75904

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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)CCCCCCCCCCC(=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)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C28H31N3O3S3/c32-25(33)16-10-5-3-1-2-4-6-11-17-30-27(34)24(37-28(30)35)19-21-20-31(22-13-8-7-9-14-22)29-26(21)23-15-12-18-36-23/h7-9,12-15,18-20H,1-6,10-11,16-17H2,(H,32,33)/b24-19+