3-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-3-methyl-4-[(3-methyl-2-thienyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-4-[(3-methyl-2-thiophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-methyl-4-[(3-methyl-2-thienyl)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(SC=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H14N2O3S/c1-10-6-7-23-15(10)9-14-11(2)18-19(16(14)20)13-5-3-4-12(8-13)17(21)22/h3-9H,1-2H3,(H,21,22)/b14-9+