ethyl 2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23BrN4O4S MolecularWeight: 471.36862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=NN2C)Br)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=NN2C)Br)C(=O)OCC)C

InChI

InChI=1S/C18H23BrN4O4S/c1-6-23(7-2)17(25)14-10(4)12(18(26)27-8-3)16(28-14)21-15(24)13-11(19)9-20-22(13)5/h9H,6-8H2,1-5H3,(H,21,24)