ethyl 1-methyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Traditional Name: 1-methyl-5-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-7-18(22(28)26-21-17(12-24-27(21)6)23(29)30-8-2)31-19-11-14(4)16-10-13(3)9-15(5)20(16)25-19/h9-12,18H,7-8H2,1-6H3,(H,26,28)