(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H15F3N4O5S MolecularWeight: 480.41711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H15F3N4O5S/c1-2-31-19(30)16-11(10(7-24)17(25)33-16)9-32-18(29)15-14(28)8-27(26-15)13-6-4-3-5-12(13)20(21,22)23/h3-6,8,28H,2,9,25H2,1H3