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

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[3-ethoxy-4-(thiophene-2-carbonyloxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[3-ethoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[3-ethoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[3-ethoxy-4-(2-thenoyloxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H20N2O6S MolecularWeight: 476.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H20N2O6S/c1-3-32-21-13-16(9-10-20(21)33-25(31)22-8-5-11-34-22)12-19-15(2)26-27(23(19)28)18-7-4-6-17(14-18)24(29)30/h4-14H,3H2,1-2H3,(H,29,30)/b19-12-