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

Systemtic Name: 4-[(4E)-4-[(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4E)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4E)-4-[[3-methoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4E)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4E)-5-keto-4-[3-methoxy-4-(2-thenoyloxy)benzylidene]-3-methyl-2-pyrazolin-1-yl]besylate Formula: C23H17N2O7S2- MolecularWeight: 497.52028

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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)S(=O)(=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)S(=O)(=O)[O-]

InChI

InChI=1S/C23H18N2O7S2/c1-14-18(22(26)25(24-14)16-6-8-17(9-7-16)34(28,29)30)12-15-5-10-19(20(13-15)31-2)32-23(27)21-4-3-11-33-21/h3-13H,1-2H3,(H,28,29,30)/p-1/b18-12+