ethyl 5-aminocarbonyl-4-methyl-2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H17F3N4O4S MolecularWeight: 418.39079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=CC(=N2)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=CC(=N2)C)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O4S/c1-4-27-15(26)11-8(3)12(13(20)25)28-14(11)21-10(24)6-23-9(16(17,18)19)5-7(2)22-23/h5H,4,6H2,1-3H3,(H2,20,25)(H,21,24)