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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H16F3N5O4S MolecularWeight: 479.43235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C20H16F3N5O4S/c1-3-31-19(30)16-14(12(6-24)17(25)33-16)9-32-18(29)13-8-27-28(10(13)2)15-5-4-11(7-26-15)20(21,22)23/h4-5,7-8H,3,9,25H2,1-2H3