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

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate CAS Name: 1-(4-methyl-2-quinolinyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-(thiophene-2-carbonylamino)pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-(2-thenoylamino)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)C)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-3-28-21(27)15-12-22-25(19(15)24-20(26)17-9-6-10-29-17)18-11-13(2)14-7-4-5-8-16(14)23-18/h4-12H,3H2,1-2H3,(H,24,26)