5-[[6-methoxy-1,1,3-tris(oxidanylidene)-4-propan-2-yl-1,2-benzothiazol-2-yl]methoxy]-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[[6-methoxy-1,1,3-tris(oxidanylidene)-4-propan-2-yl-1,2-benzothiazol-2-yl]methoxy]-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-[(4-isopropyl-6-methoxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)methoxy]-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-[(6-methoxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methoxy]-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[(6-methoxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methoxy]-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-[(4-isopropyl-1,1,3-triketo-6-methoxy-1,2-benzothiazol-2-yl)methoxy]-1-phenyl-pyrazole-3-carboxylic acid Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC(=NN3C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC(=NN3C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C22H21N3O7S/c1-13(2)16-9-15(31-3)10-18-20(16)21(26)24(33(18,29)30)12-32-19-11-17(22(27)28)23-25(19)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,27,28)