ethyl 5-methyl-1-[3-[2-(thiophen-2-ylcarbonylamino)propanoylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[3-[2-(thiophen-2-ylcarbonylamino)propanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[3-[2-(thiophene-2-carbonylamino)propanoylamino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[3-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[3-[2-(thiophene-2-carbonylamino)propanoylamino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[3-[2-(2-thenoylamino)propanoylamino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H22N4O4S/c1-4-29-21(28)17-12-22-25(14(17)3)16-8-5-7-15(11-16)24-19(26)13(2)23-20(27)18-9-6-10-30-18/h5-13H,4H2,1-3H3,(H,23,27)(H,24,26)