3-[(4E)-4-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-4-[(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methylene]-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H14N2O6S/c1-10-14(6-11-7-15(27-2)17-16(8-11)29-20(26)28-17)18(23)22(21-10)13-5-3-4-12(9-13)19(24)25/h3-9H,1-2H3,(H,24,25)/b14-6+