11-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-4-keto-5-[[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C33H35N3O5S2 MolecularWeight: 617.7781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H35N3O5S2/c1-40-26-17-13-14-23-20-27(41-31(23)26)30-24(22-36(34-30)25-15-9-8-10-16-25)21-28-32(39)35(33(42)43-28)19-12-7-5-3-2-4-6-11-18-29(37)38/h8-10,13-17,20-22H,2-7,11-12,18-19H2,1H3,(H,37,38)/b28-21-