ethyl 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H12F3N3O2S MolecularWeight: 355.33489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=C(C=CC=C3S2)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=C(C=CC=C3S2)C)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O2S/c1-3-23-13(22)9-7-19-21(12(9)15(16,17)18)14-20-11-8(2)5-4-6-10(11)24-14/h4-7H,3H2,1-2H3