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

Systemtic Name: ethyl 2-[2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetate CAS Name: 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetate Traditional Name: 2-[1-(6-fluoro-1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]acetic acid ethyl ester Formula: C15H14FN3O3S MolecularWeight: 335.353363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)CC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C15H14FN3O3S/c1-3-22-13(20)7-10-8(2)18-19(14(10)21)15-17-11-5-4-9(16)6-12(11)23-15/h4-6,18H,3,7H2,1-2H3