2-[4-ethyl-2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanyl-3H-pyrazol-4-yl]ethanoate

Systemtic Name: 2-[4-ethyl-2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanyl-3H-pyrazol-4-yl]ethanoate Openeye Name: 2-[4-ethyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-3-hydroxy-5-methyl-3H-pyrazol-4-yl]acetate CAS Name: 2-[4-ethyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-3-hydroxy-5-methyl-3H-pyrazol-4-yl]acetate IUPAC Name: 2-[4-ethyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-3-hydroxy-5-methyl-3H-pyrazol-4-yl]acetate Traditional Name: 2-[4-ethyl-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-2-pyrazolin-4-yl]acetate Formula: C15H15FN3O3S- MolecularWeight: 336.361303

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)F)O)CC(=O)[O-]

Isomeric SMILES

CCC1(C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)F)O)CC(=O)[O-]

InChI

InChI=1S/C15H16FN3O3S/c1-3-15(7-12(20)21)8(2)18-19(13(15)22)14-17-10-5-4-9(16)6-11(10)23-14/h4-6,13,22H,3,7H2,1-2H3,(H,20,21)/p-1