3-oxidanylidenebutan-2-yl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-[3-(trifluoromethyl)phenyl]-5-thieno[2,3-c]pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[2,3-c]pyrazole-5-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c1-9-14-8-15(17(25)26-11(3)10(2)24)27-16(14)23(22-9)13-6-4-5-12(7-13)18(19,20)21/h4-8,11H,1-3H3