ethyl 1-(4-methylquinolin-2-yl)-5-(2-thiophen-2-ylethanoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-(2-thiophen-2-ylethanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-[[2-(2-thienyl)acetyl]amino]pyrazole-4-carboxylate CAS Name: 1-(4-methyl-2-quinolinyl)-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-[(2-thiophen-2-ylacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-[[2-(2-thienyl)acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H20N4O3S/c1-3-29-22(28)17-13-23-26(21(17)25-20(27)12-15-7-6-10-30-15)19-11-14(2)16-8-4-5-9-18(16)24-19/h4-11,13H,3,12H2,1-2H3,(H,25,27)