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

Systemtic Name: 3-[(4E)-3-methyl-5-oxidanylidene-4-[(4-thiophen-2-ylcarbonyloxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-3-methyl-5-oxo-4-[[4-(thiophene-2-carbonyloxy)phenyl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-5-oxo-4-[[4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-5-oxo-4-[[4-(thiophene-2-carbonyloxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-methyl-4-[4-(2-thenoyloxy)benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C23H16N2O5S MolecularWeight: 432.44854

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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)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O5S/c1-14-19(21(26)25(24-14)17-5-2-4-16(13-17)22(27)28)12-15-7-9-18(10-8-15)30-23(29)20-6-3-11-31-20/h2-13H,1H3,(H,27,28)/b19-12+