ethyl 1-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H24N4O3S/c1-5-17(29-18-11-13(3)14-9-7-8-10-16(14)23-18)20(26)24-19-15(12-22-25(19)4)21(27)28-6-2/h7-12,17H,5-6H2,1-4H3,(H,24,26)