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

Systemtic Name: 2-chloranyl-5-[(4E)-3-methyl-5-oxidanylidene-4-[(3-thiophen-2-ylcarbonyloxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-[[3-(thiophene-2-carbonyloxy)phenyl]methylene]pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-[[3-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-3-methyl-5-oxo-4-[[3-(thiophene-2-carbonyloxy)phenyl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-5-keto-3-methyl-4-[3-(2-thenoyloxy)benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C23H15ClN2O5S MolecularWeight: 466.8936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClN2O5S/c1-13-17(21(27)26(25-13)15-7-8-19(24)18(12-15)22(28)29)11-14-4-2-5-16(10-14)31-23(30)20-6-3-9-32-20/h2-12H,1H3,(H,28,29)/b17-11+