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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-methyl-3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21F3N4O4S MolecularWeight: 446.44395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O4S/c1-5-29-17(28)12-10(4)13(14(22)26)30-16(12)23-15(27)8(2)7-25-9(3)6-11(24-25)18(19,20)21/h6,8H,5,7H2,1-4H3,(H2,22,26)(H,23,27)