4-[(4Z)-4-[(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[[3-methoxy-4-[oxo(thiophen-2-yl)methoxy]phenyl]methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-4-[3-methoxy-4-(2-thenoyloxy)benzylidene]-3-methylene-pyrazolidin-1-yl]besylic acid Formula: C23H18N2O7S2 MolecularWeight: 498.52822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC(=O)C4=CC=CS4

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/h3-13,24H,1H2,2H3,(H,28,29,30)/b18-12-