4-[(4E)-4-[(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[3-methoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-4-[3-methoxy-4-(2-thenoyloxy)benzylidene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O6S/c1-14-18(22(27)26(25-14)17-8-6-16(7-9-17)23(28)29)12-15-5-10-19(20(13-15)31-2)32-24(30)21-4-3-11-33-21/h3-13H,1-2H3,(H,28,29)/b18-12+