ethyl 1-quinolin-2-yl-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-quinolin-2-yl-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-quinolyl)-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate CAS Name: 5-[[oxo(thiophen-2-yl)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-quinolin-2-yl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate Traditional Name: 1-(2-quinolyl)-5-(2-thenoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H16N4O3S/c1-2-27-20(26)14-12-21-24(18(14)23-19(25)16-8-5-11-28-16)17-10-9-13-6-3-4-7-15(13)22-17/h3-12H,2H2,1H3,(H,23,25)