(3E)-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Systemtic Name: (3E)-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Openeye Name: (3E)-3-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid CAS Name: (3E)-3-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid IUPAC Name: (3E)-3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Traditional Name: (3E)-3-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Formula: C27H19N3O2S MolecularWeight: 449.52366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C27H19N3O2S/c31-27(32)24-20-9-4-5-10-22(20)28-25-17(12-13-21(24)25)15-18-16-30(19-7-2-1-3-8-19)29-26(18)23-11-6-14-33-23/h1-11,14-16H,12-13H2,(H,31,32)/b17-15+