propyl 2-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C18H20BrF3N4O4S MolecularWeight: 525.34001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=NN(C(=C2Br)C(F)(F)F)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=NN(C(=C2Br)C(F)(F)F)C

InChI

InChI=1S/C18H20BrF3N4O4S/c1-6-7-30-17(29)9-8(2)12(16(28)25(3)4)31-15(9)23-14(27)11-10(19)13(18(20,21)22)26(5)24-11/h6-7H2,1-5H3,(H,23,27)