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

Systemtic Name: ethyl 1-quinolin-2-yl-5-(2-thiophen-2-ylethanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-quinolyl)-5-[[2-(2-thienyl)acetyl]amino]pyrazole-4-carboxylate CAS Name: 5-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-quinolin-2-yl-5-[(2-thiophen-2-ylacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(2-quinolyl)-5-[[2-(2-thienyl)acetyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-2-28-21(27)16-13-22-25(18-10-9-14-6-3-4-8-17(14)23-18)20(16)24-19(26)12-15-7-5-11-29-15/h3-11,13H,2,12H2,1H3,(H,24,26)